4-Chlorobenzylamine supplier

Name
4-Chlorobenzylamine
EINECS 203-245-3
CAS No. 104-86-9
Article Data136
CAS DataBase
Density 1.16 g/cm³
Solubility Not miscible in water.
Melting Point 277-278 °C(Solv: N,N-dimethylformamide (68-12-2))
Formula C₇H₈ClN
Boiling Point 216.6 °C at 760 mmHg
Molecular Weight 141.6
Flash Point 92.6 °C
Transport Information UN 2735
Appearance clear slightly yellow liquid
Safety 26-45-36/37/39
Risk Codes 36/37/38-34
Molecular Structure
Hazard Symbols Xi,C
Synonyms Benzylamine, p-chloro- (8CI);Benzenemethanamine, 4-chloro-;(4-chlorophenyl)methanamine;(4-chlorophenyl)methylazanium;Benzylamine, p-chloro-;p-Chlorobenzylamine;p-Chlorobenzyl amine;
PSA 26.02000
LogP 2.49900

Synthetic route

: 104-88-1
4-chlorobenzaldehyde

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With ammonium hydroxide; hydrogen In ethanol at 130℃; under 7500.75 Torr; for 12h; Autoclave;	100%
With ammonia; hydrogen In methanol at 89.84℃; under 30003 Torr; for 3h;	98%
With [pentamethylcyclopentadienyl*Ir(N-phenyl-2-pyridinecarboxamidate)Cl]; ammonium formate In methanol at 37℃; for 15h; chemoselective reaction;	98%

: 623-03-0
4-Cyanochlorobenzene

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With [Ru(H)(BH4)(CO)(PPh3)(3-(di-tert-butylphosphino)-N-((1-methyl-1H-imidazol-2 yl)methyl)propylamine)]; hydrogen In isopropyl alcohol at 70℃; for 3h; Inert atmosphere; Autoclave;	99%
With ammonia; hydrogen In water; isopropyl alcohol at 80℃; under 15001.5 Torr; for 24h; Autoclave;	98%
With C19H34Cl2CoN2P; hydrogen; sodium ethanolate; sodium triethylborohydride In benzene at 135℃; under 22502.3 Torr; for 36h; Autoclave;	93%

: 3848-36-0
4-chlorobenzaldoxime

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With (pyridine)(tetrahydroborato)zinc In tetrahydrofuran for 2.8h; Heating;	96%
With sodium hydrogensulfate monohydrate; molybdenum(V) chloride; sodium cyanoborohydride In ethanol for 2.2h; Reflux;	96%
With sodium tetrahydroborate at 20℃; for 0.0333333h; neat (no solvent, solid phase);	95%

: 27032-10-6
4-chlorobenzyl azide

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With Amberlite IRA-400; borohydride form; copper(II) sulfate In methanol at 20℃; for 6h; Reduction;	94%
With ammonium chloride; zinc In ethanol; water
With hydrogen; palladium In tetrahydrofuran; N,N-dimethyl-formamide at 50℃; under 6080.41 Torr; for 22h; Inert atmosphere;
With formic acid; 2,6-dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 40h; Irradiation;	84 %Chromat.

: 623-03-0
4-Cyanochlorobenzene

A: 21913-13-3
N,N-bis(4-chlorobenzyl)amine

B: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel dichloride In ethanol at 20℃; for 0.0833333h;	A 7% B 85%
With methanol; cobalt(II) chloride; diborane at -10℃; for 0.5h;	A 9.4% B 71.1%
With methanol; cobalt(II) chloride; diborane for 0.5h; Ambient temperature;	A 52% B 27%

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With ammonium hydroxide; potassium dihydrogenphosphate In tert-butyl methyl ether at 20℃; for 0.5h; Reagent/catalyst; Solvent; Autoclave;	85%
With hexamethylenetetramine
With hydrogenchloride; potassium hydride; 1,1,3,3-tetramethyldisilazane 1.) THF, 1 h, 0 deg C; 1 h, r.t.; Yield given. Multistep reaction;
With ammonia at 25℃; Kinetics; Activation energy; Temperature;

: 873-32-5
2-Chlorobenzonitrile

A: 104-86-9
4-chlorobenzylamine

B: 100-46-9
benzylamine

Conditions

Conditions	Yield
With potassium hydroxide; samarium diiodide In tetrahydrofuran for 0.0666667h; Ambient temperature;	A 6% B 77%

: 873-76-7
para-Chlorobenzyl alcohol

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With ammonium hydroxide; C19H37IrN4(2+)*2I(1-) at 170℃; for 100h; Sealed tube;	77%
With ammonia In toluene at 110℃; under 5250.53 Torr; for 20h;	72%
Multi-step reaction with 2 steps 1: acetic acid; hydrogen bromide / 0.5 h / 0 °C 2: ammonia / ethanol; water / 4 h / 20 °C View Scheme

: 131523-32-5
2-(4-chloro-benzyl)-1H-isoindole-1,3(2H)-dione

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With hydrazine hydrate In 1,4-dioxane at 110℃; Gabriel Amine Synthesis; Inert atmosphere;	74%
With hydrazine hydrate In ethanol for 3h; Inert atmosphere; Reflux;	42%
With hydrazine hydrate In methanol for 1h; Heating;

: 619-56-7
4-chlorobenzamide

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With titanium tetrachloride; magnesium In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	72%
With sulfuric acid at 35 - 40℃; Electrolysis.an einer Bleikathode;
With 1,10-Phenanthroline; diethoxymethylane; iron(II) acetate In toluene at 100℃; for 28h; Inert atmosphere; chemoselective reaction;	60 %Chromat.

: 67-56-1
methanol

: 27032-10-6
4-chlorobenzyl azide

A: 15184-98-2
N,N-dimethyl-4-chlorobenzylamine

B: 104-86-9
4-chlorobenzylamine

C: 104-11-0
N-methyl-4-chlorobenzylamine

Conditions

Conditions	Yield
With trans-RuCl(phenpyra-Me)(PPh3)2PF6; sodium hydroxide at 125℃; for 2.5h; Sealed tube; Inert atmosphere; Glovebox;	A 5 %Chromat. B 7 %Chromat. C 69%

...Expand

: 623-03-0
4-Cyanochlorobenzene

A: 104-86-9
4-chlorobenzylamine

B: 100-46-9
benzylamine

Conditions

Conditions	Yield
With potassium hydroxide; samarium diiodide In tetrahydrofuran for 0.05h; Ambient temperature;	A 12% B 56%

: 1073-67-2
4-vinylbenzyl chloride

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With D-glucose; E. coli LZ220; ammonia; oxygen; ammonium chloride In aq. phosphate buffer at 30℃; for 24h; pH=8; Green chemistry; Enzymatic reaction;	47%

: N,N-bis(p-chlorobenzylamino)ethane dihydrobromide

A: 33537-99-4
6‐chloro‐1,2,3,4‐tetrahydroisoquinoline

B: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With aluminium trichloride In decalin at 180℃; for 2h;	A 45% B n/a

: 623-03-0
4-Cyanochlorobenzene

A: 21913-13-3
N,N-bis(4-chlorobenzyl)amine

B: 104-86-9
4-chlorobenzylamine

C: 873-76-7
para-Chlorobenzyl alcohol

Conditions

Conditions	Yield
With nickel dichloride; zinc In methanol for 4h; Heating;	A 5% B 37.4% C 39.2%
With nickel dichloride; zinc In methanol for 4h; Heating;	A 5% B 37.4% C 39.2%

...Expand

: 41097-37-4
(1E, 2E)-1,2-bis (4-chlorobenzylidene) hydrazine

A: 86212-34-2, 91044-20-1, 98674-96-5, 74641-30-8
(1R,2S)-1,2-bis(4-chlorophenyl)ethane-1,2-diamine

B: 104-86-9
4-chlorobenzylamine

: (1R,2R)-1,2-Bis-(4-chloro-phenyl)-ethane-1,2-diamine

Conditions

Conditions	Yield
With methanesulfonic acid; zinc In tetrahydrofuran at 25℃; for 8h; reduction;	A n/a B 35% C n/a
With titanium tetrachloride; zinc In tetrahydrofuran at 25℃; for 8h; reduction;	A n/a B 13% C n/a

...Expand

: 3848-36-0
4-chlorobenzaldoxime

A: 86212-34-2, 91044-20-1, 98674-96-5, 74641-30-8
(1R,2S)-1,2-bis(4-chlorophenyl)ethane-1,2-diamine

B: 104-86-9
4-chlorobenzylamine

: (1R,2R)-1,2-Bis-(4-chloro-phenyl)-ethane-1,2-diamine

Conditions

Conditions	Yield
With methanesulfonic acid; zinc In acetonitrile at 25℃; reduction;	A n/a B 32% C n/a
With titanium tetrachloride; zinc In tetrahydrofuran at 25℃; reduction;	A n/a B 3% C n/a

...Expand

: 17332-59-1
N-(4-chloro-benzyl)-phthalamic acid

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With hydrogenchloride

: 96634-13-8
(4-chloro-benzyl)-hexamethylenetetraminium; chloride

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With hydrogenchloride; methanol

: 540-69-2
ammonium formate

: 104-88-1
4-chlorobenzaldehyde

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
anschliessenden Behandeln mit wss.HCl;

: 33499-37-5, 54615-09-7, 87861-05-0
4-chlorobenzaldehyde-O-methyl oxime

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
(i) B2H6, THF, (ii) aq. KOH; Multistep reaction;

: 6342-46-7
(E)-N′-(4′-chlorobenzylidene)isonicotinohydrazide

A: 586-95-8
pyridine-4-methanol

B: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide Mechanism; polarographic reduction,;

: 3717-23-5
(Z)-p-chlorobenzaldehyde oxime

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With tetramethylammonium bromide Mechanism; polarographic reduction at pH=3, other supporting electrolytes; values of diffusion current constant;

: 3717-24-6
4-chlorobenzaldehyde oxime

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With tetramethylammonium bromide Mechanism; polarographic reduction at pH=3, other supporting electrolytes; values of diffusion current constant;

: 57058-33-0
N-(4-chlorobenzyl)acetamide

A: 64-19-7
acetic acid

B: 104-86-9
4-chlorobenzylamine

C: 5-(Acetylamino-methyl)-2-chloro-benzenesulfonic acid

Conditions

Conditions	Yield
With sulfuric acid In water at 60 - 92℃; Kinetics; Mechanism; Thermodynamic data; ΔH(excit.), ΔS(excit.);

...Expand

: C7H8ClN*H(1+)

: 114444-46-1
C14H13NO

A: 124225-44-1
1-methyl-4-(phenylacetyl)pyridinium cation

B: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
In water at 25℃; Equilibrium constant; Rate constant;

...Expand

: 102677-74-7
3-amino-4-chlorobenzylamine dihydrochloride

: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With hydrogenchloride; hypophosphorous acid; sodium nitrite 2.) 15 min; Multistep reaction;

: 97732-00-8
C9H12ClNS*ClH

A: 75-18-3
dimethylsulfide

B: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With iodide; hydrogen cation In water at 25℃; Rate constant; pH dependence (pH = 0.5-3.0), μ = 1.0 with KCl;

: 97732-00-8
N-(4-chlorobenzyl)-S,S-dimethylsulfilimmonium chloride

A: 75-18-3
dimethylsulfide

B: 104-86-9
4-chlorobenzylamine

Conditions

Conditions	Yield
With 3-nitro-5-thiobenzoic acid; hydrogen cation In water at 25℃; Rate constant; var. reductant thiol anions, ionic strength: μ = 1.0 with KCl, catalytic constants for buffer, leaving group effects;

: 104-86-9
4-chlorobenzylamine

: 98077-17-9
4-Ethoxy-2,3,5,6,7,8-hexahydro-chinazolin-2-on

: 4-(4-Chlor-benzylamino)-2,3,5,6,7,8-hexahydrochinazolin-2-on

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 20.5h; Heating;	100%

: 104-86-9
4-chlorobenzylamine

: 31264-06-9
N-(4-chlorobenzylidene)-4-chlorobenzylamine

Conditions

Conditions	Yield
With oxygen; methylene blue; potassium carbonate In acetonitrile at 20℃; for 10h; Irradiation; Green chemistry;	100%
With oxygen at 100℃; for 8h; Time; Schlenk technique;	99%
With oxygen; 2Co(2+)2C12H6O4(2-)C34H12Cl4N4O4*4C3H7NO In N,N-dimethyl-formamide at 40℃; for 6h; Irradiation;	99%

: 1-(3-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid

: 104-86-9
4-chlorobenzylamine

: 694479-04-4
N-(4-chlorobenzyl)-1-(3-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

Conditions

Conditions	Yield
With 1-hydroxy-7-aza-benzotriazole; 2-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate(V); diisopropylamine In dichloromethane at 20℃; for 1h;	100%

: 104-86-9
4-chlorobenzylamine

: 305324-43-0
N-[(tert-butoxy)carbonyl]-N-(2-oxo-3-phenylpropyl)glycine

: 305324-50-9
4-[(tert-butoxy)carbonyl]-1-[(4-chlorophenyl)methyl]-6-(phenylmethyl)piperazin-2-one

Conditions

Conditions	Yield
Stage #1: 4-chlorobenzylamine; N-[(tert-butoxy)carbonyl]-N-(2-oxo-3-phenylpropyl)glycine With sodium tris(acetoxy)borohydride; acetic acid at 25℃; Condensation; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 25℃; Cyclization;	100%

: 104-86-9
4-chlorobenzylamine

: 305324-44-1
N-[(tert-butoxy)carbonyl]-N-(2-oxo-4-phenylbutyl)glycine

: 305324-55-4
4-[(tert-butoxy)carbonyl]-1-[(4-chlorophenyl)methyl]-6-(2-phenylethyl)piperazin-2-one

Conditions

Conditions	Yield
Stage #1: 4-chlorobenzylamine; N-[(tert-butoxy)carbonyl]-N-(2-oxo-4-phenylbutyl)glycine With sodium tris(acetoxy)borohydride; acetic acid at 25℃; Condensation; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 25℃; Cyclization;	100%

: 104-86-9
4-chlorobenzylamine

: 6160-65-2
1,1'-Thiocarbonyldiimidazole

: 74-88-4
methyl iodide

: 3-(4-chloro-benzylthiocarbamoyl)-1-methyl-3H-imidazol-1-ium; iodide

Conditions

Conditions	Yield
Stage #1: 4-chlorobenzylamine; 1,1'-Thiocarbonyldiimidazole In acetonitrile at 20℃; for 1h; Stage #2: methyl iodide In acetonitrile at 20℃;	100%

...Expand

: 931-53-3
Cyclohexyl isocyanide

: 123-38-6
propionaldehyde

: 104-86-9
4-chlorobenzylamine

: 88-75-5
2-hydroxynitrobenzene

: 2-[(4-chlorobenzyl)-(2-nitrophenyl)amino]-N-cyclohexylbutyramide

Conditions

Conditions	Yield
In methanol microwave irradiation;	100%
In toluene at 60℃; for 20h; Ugi-Smiles coupling;	90%
In methanol at 40℃; for 20h; Ugi reaction;	74%

...Expand

: 75-44-5
phosgene

: 104-86-9
4-chlorobenzylamine

: 30280-44-5
4-chlorobenzyl isocyanate

Conditions

Conditions	Yield
In toluene	100%
In toluene at 20℃; for 2.25h; Heating / reflux;	100%
In toluene at 20℃; for 2.25h; Heating / reflux;	100%
With triethylamine In dichloromethane; toluene at -20 - 25℃; for 4.08333h; Inert atmosphere;

: 626-05-1
2,6-Dibromopyridine

: 104-86-9
4-chlorobenzylamine

: 866546-12-5
(6-bromopyridin-2-yl)(4-chlorobenzyl)amine

Conditions

Conditions	Yield
at 150℃; for 0.5h; Neat (no solvent); Microwave irradiation;	100%

: 104-86-9
4-chlorobenzylamine

: 84358-13-4
N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

: 881833-22-3
tert-butyl 4-(4-chlorobenzylcarbamoyl)piperidine-1-carboxylate

Conditions

Conditions	Yield
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; for 16h;	100%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 15h;	88%
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 18h;	72%

: 6342-56-9
Pyruvic aldehyde dimethyl acetal

: 104-86-9
4-chlorobenzylamine

: 919994-55-1
(4-chloro-benzyl)-[2,2-dimethoxy-1-methyl-eth-(Z)-ylidene]-amine

Conditions

Conditions	Yield
In toluene for 3h; Heating / reflux;	100%

: 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one

: 104-86-9
4-chlorobenzylamine

: 849106-37-2
4-(4-chloro-benzylamino)-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride; acetic acid In 1,2-dichloro-ethane	100%
With sodium tris(acetoxy)borohydride; acetic acid In 1,2-dichloro-ethane at 20℃; for 2h; Inert atmosphere;

: 104-86-9
4-chlorobenzylamine

: 762-42-5
dimethyl acetylenedicarboxylate

: 1012859-65-2
C13H14ClNO4

Conditions

Conditions	Yield
In water at 20℃; for 2h; Michael-type addition;	100%
In dichloromethane at 20℃; for 0.166667h;
In methanol for 0.5h; Reflux;
In dichloromethane at 20℃; Inert atmosphere;

: 104-86-9
4-chlorobenzylamine

: 532-55-8
Benzoyl isothiocyanate

: 145383-00-2
N-((4-chlorobenzyl)carbamothioyl)benzamide

Conditions

Conditions	Yield
	100%
In diethyl ether at 0 - 20℃; for 2h;
In acetone at 20℃;

: 100032-83-5
(Z)-3-ethoxy-3-[(2-nitrophenyl)hydrazono]propanoic acid ethyl ester

: 104-86-9
4-chlorobenzylamine

: (Z)-N-(4-chlorobenzyl)-3-ethoxy-3-[(2-nitrophenyl)hydrazono]propanamide

Conditions

Conditions	Yield
at 50℃; for 1h; Inert atmosphere; Microwave irradiation;	100%

: 27631-29-4
2-chloro-6,7-dimethoxy-3H-quinazolin-4-one

: 104-86-9
4-chlorobenzylamine

: 864291-36-1
2-chloro-N-(4-chlorobenzyl)-6,7-dimethoxyquinazolin-4-amine

Conditions

Conditions	Yield
Stage #1: 2-chloro-6,7-dimethoxy-3H-quinazolin-4-one; 4-chlorobenzylamine In N,N-dimethyl-formamide at 20℃; for 29h; Stage #2: With sodium hydroxide In water	100%

: 329-59-9
4-fluoro-3-nitro-benzoic acid methyl ester

: 104-86-9
4-chlorobenzylamine

: 174422-22-1
methyl 4-(4-chlorobenzylamine)-3-nitrobenzoic acid ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 5h;	100%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 5h;	100%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran for 17h; Reflux;
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 50℃; for 16h;
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 150℃; for 0.0833333h; Inert atmosphere;

: 75-15-0
carbon disulfide

: 104-86-9
4-chlorobenzylamine

: 3694-45-9
4-chlorobenzylisothiocyanate

Conditions

Conditions	Yield
Stage #1: carbon disulfide; 4-chlorobenzylamine In diethyl ether for 0.25h; Cooling with ice; Stage #2: With dicyclohexyl-carbodiimide In diethyl ether at 20℃; for 24h;	100%
Stage #1: carbon disulfide; 4-chlorobenzylamine With triethylamine In tetrahydrofuran at 0 - 20℃; for 1.75h; Stage #2: With p-toluenesulfonyl chloride In tetrahydrofuran at 0 - 20℃; for 1h;	85%
With dmap; di-tert-butyl dicarbonate; triethylamine In ethanol at 0 - 20℃; for 1h;	71%

: 104-86-9
4-chlorobenzylamine

: 93-07-2
Veratric acid

: N-(4-chlorobenzyl)-3,4-dimethoxybenzamide

Conditions

Conditions	Yield
Stage #1: Veratric acid With 1-hydroxy-pyrrolidine-2,5-dione In dichloromethane at -10 - 0℃; for 0.166667h; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane for 2h; Reflux; Stage #3: 4-chlorobenzylamine With triethylamine In methanol; dichloromethane for 2h; Reflux;	99.5%

: 104-86-9
4-chlorobenzylamine

: 623-03-0
4-Cyanochlorobenzene

Conditions

Conditions	Yield
With oxygen In acetone at 20℃; for 3.2h; Electrochemical reaction;	99%
With potassium hydroxide; nickel copper formate; (Bu4N)2S2O8 In 1,2-dichloro-ethane at 20℃; for 13h; Oxidation;	95%
With [hydroxy(tosyloxy)iodo]benzene; ammonium acetate In water; acetonitrile at 80℃; for 3h;	92%

: 104-88-1
4-chlorobenzaldehyde

: 104-86-9
4-chlorobenzylamine

: 31264-06-9
N-(4-chlorobenzylidene)-4-chlorobenzylamine

Conditions

Conditions	Yield
In dichloromethane at 40℃; under 760.051 Torr; for 1.5h; Molecular sieve;	99%
With magnesium sulfate In dichloromethane for 3h; Reflux;	95%
In toluene for 24h; Condensation; Heating;	56%

: 104-86-9
4-chlorobenzylamine

: 54856-20-1
N-[(2-methoxycarbonylbenzene)sulfenyl]-1,2-benzisothiazolin-3-one

: 4322-81-0
2-(4-chlorobenzyl)benzo[d]isothiazol-2(3H)-one

Conditions

Conditions	Yield
In toluene at 100℃; for 3h;	99%

: 1201482-15-6
(R)-3-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)hex-5-enoic acid

: 104-86-9
4-chlorobenzylamine

: 1201482-18-9
(R)-3-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)-N-(4-chlorobenzyl)hex-5-enamide

Conditions

Conditions	Yield
Stage #1: (R)-3-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)hex-5-enoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 0.5h; Stage #2: 4-chlorobenzylamine With dmap In dichloromethane	99%

: 82979-45-1
methyl 2-chloro-2-cyclopropylideneacetate

: 104-86-9
4-chlorobenzylamine

: 1239987-62-2
methyl 2-(4-chlorobenzylamino)cyclobut-1-enecarboxylate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; lithium iodide In N,N-dimethyl-formamide at 0 - 20℃; for 72h; Michael condensation; Inert atmosphere;	99%

: 104-86-9
4-chlorobenzylamine

: 372-31-6
ethyl 4,4,4-trifluoroacetoacetate

: 1384849-55-1
ethyl 3-(4-chlorobenzyl)amino-4,4,4-trifluorobut-2-enoate

Conditions

Conditions	Yield
Stage #1: 4-chlorobenzylamine With acetic acid In chloroform at 20℃; for 0.0833333h; Stage #2: ethyl 4,4,4-trifluoroacetoacetate In chloroform for 5h; Reflux;	99%

: 64-17-5
ethanol

: 104-86-9
4-chlorobenzylamine

: 1538636-70-2
C9H10ClN

Conditions

Conditions	Yield
With potassium hydroxide at 30℃; for 3h; Green chemistry;	99%

: 4338-95-8
S-methylthiouronium iodide

: 104-86-9
4-chlorobenzylamine

: 4-chlorobenzylguanidine hydroiodide

Conditions

Conditions	Yield
In tetrahydrofuran at 25℃; for 12h;	99%

: 124-38-9
carbon dioxide

: 104-86-9
4-chlorobenzylamine

: 86386-67-6
N-(4-chlorobenzyl)formamide

Conditions

Conditions	Yield
With phenylsilane; C14H24N4Si*HI In benzene-d6 at 40℃; Inert atmosphere; Schlenk technique;	99%
With Au-TiO2; hydrogen In N,N-dimethyl acetamide at 120℃; for 5h;	94%
With tris(2-diphenylphosphinoethyl)phosphine; hydrogen; potassium carbonate; cobalt(II) perchlorate hexahydrate In ethanol at 140℃; under 45004.5 Torr; for 24h; Autoclave; Green chemistry;	90%

4-Chlorobenzylamine Specification

The IUPAC name of this chemical is 4-Chlorobenzylamine. With the CAS registry number 104-86-9 and EINECS registry number 203-245-3, it is also named as Benzenemethanamine, 4-chloro-. In addition, the molecular formula is C₇H₈ClN and the molecular weight is 141.60. It is a kind of clear slightly yellow liquid and belongs to the classes of Anilines, Aromatic Amines and Nitro Compounds; C7; Nitrogen Compounds. What's more, it should be stored in sealed container, and put in a cool and dry place. The storage place must stay away from oxidant, the fire, water source and heat source.

Physical properties about this chemical are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.31; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.67; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 39.59 cm³; (15)Molar Volume: 121.3 cm³; (16)Polarizability: 15.69×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.166 g/cm³; (19)Flash Point: 92.6 °C; (20)Enthalpy of Vaporization: 45.3 kJ/mol; (21)Boiling Point: 216.6 °C at 760 mmHg; (22)Vapour Pressure: 0.139 mmHg at 25 °C.

Preparation of 4-Chlorobenzylamine: it can be prepared by p-Chlorobenzyl azide. This reaction will need reagent Amberlite IRA-400, borohydride form and CuSO₄*5H₂O and solvent methanol. The reaction time is 6 hours at reaction temperature of 20 °C. The yield is about 94 %.

4-Chlorobenzylamine can be prepared by p-chlorobenzyl azide

Uses of 4-Chlorobenzylamine: it can be used to get 4-Chloro-benzoic acid and 4-Chloro-benzonitrile. This reaction will need reagents tert-butylhydroperoxide and silica-supported selenamide, and solvent 2-methyl-propan-2-ol. The reaction time is 20 hours by heating. The yield is about 87 %.

4-Chlorobenzylamine can be used to get 4-chloro-benzoic acid and 4-chloro-benzonitrile

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it can cause burns. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CN
(2)InChI: InChI=1/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
(3)InChIKey: YMVFJGSXZNNUDW-UHFFFAOYAN

Product Name

4-Chlorobenzylamine

Synthetic route

4-Chlorobenzylamine Specification

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