DL-4-Chlorophenylglycine supplier

Name
DL-4-Chlorophenylglycine
EINECS 612-944-6
CAS No. 6212-33-5
Article Data23
CAS DataBase
Density 1.392 g/cm³
Solubility
Melting Point 220-230 °C
Formula C₈H₈ClNO₂
Boiling Point 328.8 °C at 760 mmHg
Molecular Weight 185.61
Flash Point 152.7 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 26-36
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Glycine,2-(p-chlorophenyl)- (7CI,8CI);2-(4-Chlorophenyl)glycine;2-Amino-2-(4-chlorophenyl)acetic acid;DL-2-(p-Chlorophenyl)glycine;
PSA 63.32000
LogP 2.12470

Synthetic route

: 7099-88-9
4-chlorophenylglyoxylic acid

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With 4-methoxy-N-(1-(naphthalen-2-yl)ethylidene)aniline; ammonium formate In methanol at 80℃; for 12h; Inert atmosphere; chemoselective reaction;	91%
With (S)-2-amino-(2-chlorophenyl)ethanoic acid In water; acetonitrile at 50℃; for 36h; Reflux; Inert atmosphere;	61%

: 1353886-52-8
2-(4-chlorophenyl)-2-(hydroxyimino)acetic acid

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel; sodium hydroxide In methanol; water at 20 - 30℃;	90%
Stage #1: 2-(4-chlorophenyl)-2-(hydroxyimino)acetic acid In methanol at 20℃; Stage #2: With sodium tetrahydroborate; sodium hydroxide In methanol; water at 50 - 64℃;

: 6212-32-4
5-(p-chlorophenyl)hydantoin

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With sodium hydroxide for 24h; Heating;	70.3%
With sodium hydroxide
With sodium hydroxide
With potassium carbonate In water at 178℃; under 18751.9 Torr; for 0.0666667h;

: potassium cyanide

: 104-88-1
4-chlorobenzaldehyde

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Stage #1: potassium cyanide; 4-chlorobenzaldehyde With water; ammonium chloride In methanol at 20℃; for 2h; Stage #2: With hydrogenchloride In water; toluene for 24h; Reflux;	34%

: 39533-35-2
α-Isocyano-p-chlorphenylessigsaeureaethylester

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
(i) aq. HCl, MeOH, (ii) NaOH; Multistep reaction;

: 140-53-4
p-chlorobenzyl cyanide

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Multistep reaction;

: (4-Chloro-phenyl)-(2,2,2-trifluoro-acetylamino)-acetic acid methyl ester

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 2h; Ambient temperature; Yield given;

: 43189-37-3
(R)-2-amino-2-(4-chlorophenyl)acetic acid

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With sodium dihydrogenphosphate; tritium oxide at 80.2 - 110.3℃; Thermodynamic data; Rate constant; pH 10.0; Ea, ΔH(excit.), ΔS(excit.);

(+-)-4-<4-chloro-phenyl>-imidazolidinedione-(2.5): (+-)-4-<4-chloro-phenyl>-imidazolidinedione-(2.5)

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With barium dihydroxide

: 104-88-1
4-chlorobenzaldehyde

linear polystyrene-supported phosphonium salt of allyl bromide: linear polystyrene-supported phosphonium salt of allyl bromide

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 72.5 percent / ethanol; H2O / 12 h / 60 °C 2: 70.3 percent / 10percent aq. NaOH / 24 h / Heating View Scheme

: 24091-92-7
methyl 2-bromo-2-(4-chlorophenyl)acetate

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: K2CO3 / benzyltriethylammonium chloride / acetonitrile / Heating 2: 20percent aq. KOH / methanol / 2 h / Ambient temperature View Scheme

: 39546-47-9
p-chlorobenzylisocyanide

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaH / dimethylformamide 2: (i) aq. HCl, MeOH, (ii) NaOH View Scheme

: 104-88-1
4-chlorobenzaldehyde

: ammonium bicarbonate

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With sodium cyanide

: 32549-33-0
1-(4-chlorophenyl)imidazolidine-2,4-dione

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Stage #1: 1-(4-chlorophenyl)imidazolidine-2,4-dione With sodium hydroxide In water at 101 - 178℃; under 3750.38 - 7500.75 Torr; Large scale; Stage #2: With sulfuric acid In water at 35 - 100℃; pH=6-6.5; Large scale;

: 13312-83-9
4-chloromandelonitrile

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ammonium bicarbonate; ammonia / water / 0.08 h / 60 - 100 °C / 7500.75 Torr 2: potassium carbonate / water / 0.07 h / 178 °C / 18751.9 Torr View Scheme

: 7477-64-7
1-(p-chlorophenyl)-1,2-ethanediol

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid; sodium nitrite / water; acetonitrile / 18 h / 20 °C 2: (S)-2-amino-(2-chlorophenyl)ethanoic acid / water; acetonitrile / 36 h / 50 °C / Reflux; Inert atmosphere View Scheme

: 1073-67-2
4-vinylbenzyl chloride

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 4-methylmorpholine N-oxide; osmium(VIII) oxide / water; acetone / 18 h / 0 - 20 °C / Inert atmosphere 2: acetic acid; sodium nitrite / water; acetonitrile / 18 h / 20 °C 3: (S)-2-amino-(2-chlorophenyl)ethanoic acid / water; acetonitrile / 36 h / 50 °C / Reflux; Inert atmosphere View Scheme

: 67-56-1
methanol

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 42718-19-4
dl-α-4-chlorophenylglycine methyl ester hydrochloride

Conditions

Conditions	Yield
With thionyl chloride for 3h; Heating;	100%
Stage #1: methanol With thionyl chloride at 0℃; for 0.75h; Stage #2: 2-(4-Chlorophenyl)glycine at 0 - 40℃; for 48h;	100%
Stage #1: methanol With thionyl chloride at 0℃; for 0.75h; Stage #2: 2-(4-Chlorophenyl)glycine at 0 - 40℃; for 48h;	100%

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 42718-19-4
dl-α-4-chlorophenylglycine methyl ester hydrochloride

Conditions

Conditions	Yield
Stage #1: methanol With thionyl chloride at 0℃; for 0.75h; Stage #2: 2-(4-Chlorophenyl)glycine at 0 - 40℃; for 48h;	100%
Stage #1: methanol With thionyl chloride at 0℃; for 0.75h; Stage #2: 2-(4-Chlorophenyl)glycine at 0 - 40℃; for 48h;	100%

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 76-05-1
trifluoroacetic acid

: 122460-66-6
4-(p-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-one

Conditions

Conditions	Yield
With phosgene; triethylamine In 5,5-dimethyl-1,3-cyclohexadiene; toluene at 10 - 60℃; Temperature; Solvent; Large scale;	96.2%
With triethylamine; trichlorophosphate at 65℃; for 5h; Time;	95.2%
With triethylamine; trichlorophosphate at 65℃; for 5h; Time;	95.2%

: 24424-99-5
di-tert-butyl dicarbonate

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 53994-85-7
(±)-2-(tert-butoxycarbonyl)-2-(4-chlorophenyl)acetic Acid

Conditions

Conditions	Yield
Stage #1: di-tert-butyl dicarbonate; 2-(4-Chlorophenyl)glycine With sodium hydroxide In tetrahydrofuran; water at 20℃; for 15h; Stage #2: With hydrogenchloride In water pH=1; Cooling;	94%
With sodium hydroxide In tetrahydrofuran; water at 20℃; for 15h;	94%
Stage #1: 2-(4-Chlorophenyl)glycine With sodium hydroxide In 1,4-dioxane; water at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate With sodium hydrogencarbonate In 1,4-dioxane; water at 20℃; for 24h; Inert atmosphere;	93%

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 1644308-41-7
((S)-N-(2-benzoyl-4-chlorophenyl)-1-(3,4-dichlorobenzyl)pyrrolidine-2-carboxamide)

: 6018-89-9
nickel(II) acetate tetrahydrate

: C33H25Cl4N3NiO3

Conditions

Conditions	Yield
With potassium carbonate In methanol at 60℃; for 1h; Temperature; diastereoselective reaction;	94%

...Expand

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 124031-17-0
1-(4-chlorophenyl)-2-ethoxy-2-oxoethanaminium chloride

Conditions

Conditions	Yield
With thionyl chloride In ethanol at 0 - 90℃; for 5h;	93%

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 88-75-5
2-hydroxynitrobenzene

: 1141-35-1
2-(4-chlorophenyl)benzoxazole

Conditions

Conditions	Yield
With potassium carbonate In toluene at 130℃; for 24h; Schlenk technique; Sealed tube;	90%
Multi-step reaction with 2 steps 1: potassium carbonate / toluene; water / 20 h / 150 °C / Schlenk technique; Inert atmosphere 2: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / toluene; water / 8 h / 150 °C / Schlenk technique View Scheme

: 577-59-3
2-acetylnitrobenzene

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 1315314-54-5
4-methyl-2-(4-chlorophenyl)-quinazoline

Conditions

Conditions	Yield
With palladium 10% on activated carbon In 1,4-dioxane at 130℃; for 10h; Inert atmosphere; Schlenk technique;	89%
With palladium 10% on activated carbon In water at 140℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube;	52%

: 1008-89-5
2-phenylpyridine

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 1173294-91-1
(4-chlorophenyl)(2-(pyridin-2-yl)phenyl)methanone

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; water; copper diacetate; palladium diacetate In dimethyl sulfoxide at 120℃; for 24h; Inert atmosphere;	87%

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 623-03-0
4-Cyanochlorobenzene

Conditions

Conditions	Yield
With sodium azide; [bis(acetoxy)iodo]benzene In acetonitrile at 20℃; for 1h;	86%

: 603-76-9
1-methylindole

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 3-[(4-chlorophenyl)(1-methyl-1H-indol-3-yl)methyl]-1-methyl-1H-indole

Conditions

Conditions	Yield
With phosphotungstic acid 44-hydrate; alloxan monohydrate In N,N-dimethyl-formamide at 110℃;	86%

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 102714-71-6
2-nitro-4,5-dimethoxybenzonitrile

: 228118-56-7
2-(4-chlorophenyl)-6,7-dimethoxyquinazolin-4(3H)-one

Conditions

Conditions	Yield
With iron(III) chloride; potassium carbonate In toluene at 120℃; for 16h;	85%

: 111-87-5
octanol

: 6212-33-5
2-(4-Chlorophenyl)glycine

A

B: 126746-12-1
DL-2-(p-Chlorphenyl)glycinoctylesterhydrochlorid

Conditions

Conditions	Yield
With hydrogenchloride at 130℃;	A n/a B 84%
With hydrogenchloride at 130℃; Yields of byproduct given;	A n/a B 84%

...Expand

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 98-59-9
p-toluenesulfonyl chloride

: 2-(4-chlorophenyl)-2-((4-methylphenyl)sulfonamido)acetic acid

Conditions

Conditions	Yield
With sodium hydroxide In water at 40℃; for 12h;	84%

: 91-02-1
phenyl(pyridin-2-yl)methanone

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 3-(4-chlorophenyl)-1-phenylimidazo[1,5-a]pyridine

Conditions

Conditions	Yield
With di-tert-butyl peroxide; iodine In toluene at 120℃; for 12h; Sealed tube;	82%
With di-tert-butyl peroxide; iodine; copper(II) bis(trifluoromethanesulfonate) In toluene at 120℃; for 10h; Sealed tube;	81%

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 111-27-3
hexan-1-ol

A: 544-10-5
1-Chlorohexane

B: 131402-92-1
Amino-(4-chloro-phenyl)-acetic acid hexyl ester; hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride at 130℃;	A n/a B 81%

...Expand

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 874-60-2
4-methyl-benzoyl chloride

: 110315-00-9
2-(4-chlorophenyl)-N-(4-methylbenzoyl)glycine

Conditions

Conditions	Yield
	80%

: 24192-81-2
2-(2-iodophenyl)-1H-benzo[d]imidazole

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 105997-06-6
6-(4-chlorophenyl)benzo[4,5]imidazo[1,2-c]quinazoline

Conditions

Conditions	Yield
Stage #1: 2-(2-iodophenyl)-1H-benzo[d]imidazole; 2-(4-Chlorophenyl)glycine With copper(l) iodide; potassium carbonate In N,N-dimethyl-formamide at 90℃; for 36h; Green chemistry; Stage #2: With oxygen In N,N-dimethyl-formamide at 90℃; under 760.051 Torr; for 36h; Green chemistry;	78%

: 88207-45-8
2-(2'-bromophenyl)-1H-indole

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 1239778-88-1
6-(4-chlorophenyl)indolo[1,2-c]quinazoline

Conditions

Conditions	Yield
Stage #1: 2-(2'-bromophenyl)-1H-indole; 2-(4-Chlorophenyl)glycine With copper(l) iodide; potassium carbonate In N,N-dimethyl-formamide at 90℃; for 12h; Green chemistry; Stage #2: With oxygen In N,N-dimethyl-formamide at 90℃; under 760.051 Torr; for 24h; Green chemistry;	77%

: 91-63-4
2-methylquinoline

: 7677-24-9
trimethylsilyl cyanide

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 1-(4-chlorophenyl)imidazo[1,5-a]quinoline-3-carbonitrile

Conditions

Conditions	Yield
With oxygen; copper(II) sulfate In 1-methyl-pyrrolidin-2-one at 130℃;	77%

...Expand

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 79-22-1
methyl chloroformate

: 170119-37-6
(4-Chloro-phenyl)-methoxycarbonylamino-acetic acid

Conditions

Conditions	Yield
With sodium hydroxide for 0.333333h; Ambient temperature;	76.8%

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 106-49-0
p-toluidine

: 67-68-5
dimethyl sulfoxide

: 88737-71-7
2-(4-chlorophenyl)-6-methylquinazoline

Conditions

Conditions	Yield
With hydrogen iodide In water at 140℃; for 18h; Sealed tube;	74%

...Expand

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 920-37-6
2-Chloroacrylonitrile

: 122453-02-5
2-(p-chlorophenyl)pyrrole-3-carbonitrile

Conditions

Conditions	Yield
With formic acid; acetic anhydride	73.6%
With formic acid; acetic anhydride	73.6%

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 1415639-48-3
C15H12BrNO

: 1469538-17-7
6-(4-chlorophenyl)-3-methoxyindolo[1,2-c]quinazoline

Conditions

Conditions	Yield
Stage #1: 2-(4-Chlorophenyl)glycine; C15H12BrNO With copper(l) iodide; potassium carbonate In N,N-dimethyl-formamide at 90℃; for 12h; Green chemistry; Stage #2: With oxygen In N,N-dimethyl-formamide at 90℃; under 760.051 Torr; for 24h; Green chemistry;	73%

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 143-08-8
nonyl alcohol

A: 2473-01-0
1-Chlorononane

B: 131402-94-3
Amino-(4-chloro-phenyl)-acetic acid nonyl ester; hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride at 130℃;	A n/a B 72%

...Expand

: 6212-33-5
2-(4-Chlorophenyl)glycine

: 899694-59-8
2-(2-bromophenyl)-5-methyl-1H-indole

: 1469538-20-2
6-(4-chlorophenyl)-10-methylindolo[1,2-c]quinazoline

Conditions

Conditions	Yield
Stage #1: 2-(4-Chlorophenyl)glycine; 2-(2-bromophenyl)-5-methyl-1H-indole With copper(l) iodide; potassium carbonate In N,N-dimethyl-formamide at 90℃; for 12h; Green chemistry; Stage #2: With oxygen In N,N-dimethyl-formamide at 90℃; under 760.051 Torr; for 24h; Green chemistry;	71%

DL-4-Chlorophenylglycine Specification

The CAS register number of DL-2-(4-chlorophenyl)glycine is 6212-33-5. It also can be called as DL-2-Amino-4-chlorophenylacetic acid and the IUPAC name about this chemical is 2-amino-2-(4-chlorophenyl)acetic acid. The molecular formula about this chemical is C₈H₈ClNO₂and the molecular weight is 185.61. It belongs to the following product categories, such as Amino Acids Series; Pharmacetical; Chiral and so on. This chemical is stable under normal temperature and pressure. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place. This chemical can be used to synthesize drugs.

Physical properties about DL-2-(4-chlorophenyl)glycine are: (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): -0.96; (3)ACD/LogD (pH 7.4): -0.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54Å²; (12)Index of Refraction: 1.603; (13)Molar Refractivity: 45.79 cm³; (14)Molar Volume: 133.2 cm³; (15)Polarizability: 18.15x10^-24cm^3; (16)Surface Tension: 58.9 dyne/cm; (17)Enthalpy of Vaporization: 60.3 kJ/mol; (18)Boiling Point: 328.8 °C at 760 mmHg; (19)Vapour Pressure: 7.45E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(N)C(=O)O
(2)InChI: InChI=1/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(3)InChIKey: QGJGBYXRJVIYGA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(5)Std. InChIKey: QGJGBYXRJVIYGA-UHFFFAOYSA-N

Product Name

DL-4-Chlorophenylglycine

Synthetic route

DL-4-Chlorophenylglycine Specification

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