1-(4-Chlorophenyl)-1-phenylethanol supplier

Name
1 -(4-CHLOROPHENYL)-1 -PHENYLETHANOL
EINECS
CAS No. 59767-24-7
Article Data20
CAS DataBase
Density 1.189 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₃ClO
Boiling Point 358.237 °C at 760 mmHg
Molecular Weight 232.71
Flash Point 170.456 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzhydrol, 4-chloro-α-methyl- (6CI);(p-Chlorophenyl)methylphenylcarbinol;1-(4-Chlorophenyl)-1-phenylethanol;1-(p-Chlorophenyl)-1-phenylethanol;4-Chloro(a-methyl-α-phenyl)benzenemethanol;EGIS5927;p-Chloro-α-methylbenzhydrol;
PSA 20.23000
LogP 3.59580

Synthetic route

: 143-66-8
sodium tetraphenyl borate

: 99-91-2
para-chloroacetophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
With chloro(η4-1,5-cyclooctadiene){1,3-bis(4-methylbenzyl)perhydrobenzimidazolin-2-ylidene}rhodium(I); ammonium chloride In o-xylene at 120℃; for 25h; Reagent/catalyst; Schlenk technique;	98%
With ammonium chloride; chloro(1,5-cyclooctadiene)rhodium(I) dimer In o-xylene at 120℃; for 25h;

: 99-91-2
para-chloroacetophenone

: 16635-23-7
phenyltriisopropoxytitanium(IV)

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
In diethyl ether for 5h; -20 deg C to r.t.;	95%

: 873-77-8
(4-chlorphenyl)magnesium bromide

: 98-86-2
acetophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 0.55h; Grignard reaction; Inert atmosphere;	95%

: 99-91-2
para-chloroacetophenone

: 100-58-3
phenylmagnesium bromide

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
Stage #1: phenylmagnesium bromide With Et2AlBr In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Stage #2: With titanium(IV) isopropylate; (S)-[1,1']-binaphthalenyl-2,2'-diol In toluene at 0℃; for 0.5h; Inert atmosphere; Stage #3: para-chloroacetophenone Further stages;	90%
In tetrahydrofuran; diethyl ether at 20℃; Grignard Reaction; Inert atmosphere;	51%
With ammonium chloride In tetrahydrofuran
In tetrahydrofuran at 0℃; Grignard Reaction; Inert atmosphere;

: 1118917-34-2
methyl carbamic acid 1-(4-chlorophenyl)-1-phenylethyl ester

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 78℃;	77%

: 18006-13-8
methyltriisopropoxytitanium(IV)

: 134-85-0
4-chlorobenzophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
In diethyl ether for 20h; -20 deg C to r.t.;	50%

: 108-86-1
bromobenzene

: 99-91-2
para-chloroacetophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
Stage #1: bromobenzene With magnesium; iodine In tetrahydrofuran Inert atmosphere; Reflux; Stage #2: para-chloroacetophenone In tetrahydrofuran at 0 - 20℃; Stage #3: With water; ammonium chloride In tetrahydrofuran at 0℃;	25%

: 3391-10-4
1-(p-chlorophenyl)ethyl alcohol

: phenylmagnesium chloride

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: 3391-10-4
1-(p-chlorophenyl)ethyl alcohol

: phenylmagnesium bromide

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: 676-58-4
methylmagnesium chloride

: 134-85-0
4-chlorobenzophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
With diethyl ether

: 67-56-1
methanol

: 7723-51-5, 15686-51-8, 61826-27-5, 61826-28-6, 61826-31-1, 63813-90-1, 63813-91-2
Clemastine

A: 67004-64-2
2-(1-methyl-2-pyrrolidine)ethanol

B: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

C: 1-Chloro-4-(1-methoxy-1-phenyl-ethyl)-benzene

Conditions

Conditions	Yield
Ambient temperature; 6 weeks;

...Expand

: 71-23-8
propan-1-ol

: 7723-51-5, 15686-51-8, 61826-27-5, 61826-28-6, 61826-31-1, 63813-90-1, 63813-91-2
Clemastine

A: 67004-64-2
2-(1-methyl-2-pyrrolidine)ethanol

B: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

C: 28523-14-0
1-Phenyl-1-(4-chlorphenyl)-ethylenglycol

D: 85151-07-1
1-methyl-2-vinylpyrrolidine

E: 134-85-0
4-chlorobenzophenone

F: 117932-40-8
1-Phenyl-1-(4-chlorphenyl)-1-n-propoxyethan

Conditions

Conditions	Yield
With sodium hydroxide for 53h; Heating; further time and temp.; also without n-propanol, with H2O or HCl addition;

...Expand

: 64-17-5
ethanol

: 7723-51-5, 15686-51-8, 61826-27-5, 61826-28-6, 61826-31-1, 63813-90-1, 63813-91-2
Clemastine

A: 67004-64-2
2-(1-methyl-2-pyrrolidine)ethanol

B: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

C: 87273-95-8
1-Chloro-4-(1-ethoxy-1-phenyl-ethyl)-benzene

Conditions

Conditions	Yield
Ambient temperature; 6 weeks;

...Expand

: 917-54-4
methyllithium

A: 599-67-7
1,1-diphenylethanol

B: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
In diethyl ether at 0℃; competition reaction with bezophenone and 4-chlorobenzophenone, relative velocity constant;

: 917-54-4
methyllithium

: 109603-92-1
C6H5BrMn

: 122-01-0
4-chloro-benzoyl chloride

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
1.) 0 to 20 deg C, 1.5 h; 2.) 0 to 20 deg C, 2.5 h; Yield given. Multistep reaction;

...Expand

: 75-16-1
methylmagnesium bromide

: 134-85-0
4-chlorobenzophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
0 deg C then 20 deg C, 4h; Yield given;

: 14976-57-9, 20271-71-0, 61826-29-7, 61826-30-0, 61826-32-2, 61826-33-3, 61826-34-4, 61826-35-5, 61826-36-6, 63537-12-2, 66727-90-0
(+)-2-<2-<1-(4-Chlorphenyl)-1-phenylethoxy>ethyl>-1-methylpyrroliden-hydrogenfumarat

A: 67004-64-2
2-(1-methyl-2-pyrrolidine)ethanol

B: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

C: 28523-14-0
1-Phenyl-1-(4-chlorphenyl)-ethylenglycol

D: 134-85-0
4-chlorobenzophenone

Conditions

Conditions	Yield
With water Heating;

...Expand

: 63537-12-2
Clemastin-hydrogenfumarat

A: 67004-64-2
2-(1-methyl-2-pyrrolidine)ethanol

B: 18218-20-7
1-(4-chlorophenyl)-1-phenylethene

C: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

D: 110203-93-5
1-(4-Chlorphenyl)-1-(4'-hydroxyphenyl)ethen

E: 1-(4-Chlorphenyl)-1-(4'-hydroxyphenyl)ethanol

F: 4-{1-(4-Chloro-phenyl)-1-[2-(1-methyl-pyrrolidin-2-yl)-ethoxy]-ethyl}-phenol

Conditions

Conditions	Yield
With 1H-imidazole; water; dihydrogen peroxide; MnTPFPS4PCl In methanol; dichloromethane at 20℃; for 24h; Product distribution; also without water, var. catalyst;

...Expand

: 63537-12-2
Clemastin-hydrogenfumarat

A: 67004-64-2
2-(1-methyl-2-pyrrolidine)ethanol

B: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

C: 2-{2-[1-(4-Chloro-phenyl)-1-phenyl-ethoxy]-ethyl}-pyrrolidine

D: Clemastin-N-oxid

Conditions

Conditions	Yield
With 1H-imidazole; dihydrogen peroxide; manganese(III)-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin chloride In methanol; dichloromethane at 20℃; for 24h; Further byproducts given;

...Expand

: 63537-12-2
Clemastin-hydrogenfumarat

A: 18218-20-7
1-(4-chlorophenyl)-1-phenylethene

B: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

C: 2-{2-[1-(4-Chloro-phenyl)-1-phenyl-ethoxy]-ethyl}-pyrrolidine

D: Clemastin-N-oxid

Conditions

Conditions	Yield
With 1H-imidazole; dihydrogen peroxide; manganese(III)-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin chloride In methanol; dichloromethane at 20℃; for 24h; Further byproducts given;

...Expand

: 917-54-4
methyllithium

: 134-85-0
4-chlorobenzophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
In diethyl ether at 0℃;

: 122-01-0
4-chloro-benzoyl chloride

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) anhydr. manganese bromide / 1.) 0 deg C then 20 deg C, 45 min; 2.) 0 deg C then 20 deg C, 1.5 h 2: 0 deg C then 20 deg C, 4h View Scheme

: 591-51-5
phenyllithium

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) anhydr. manganese bromide / 1.) 0 deg C then 20 deg C, 45 min; 2.) 0 deg C then 20 deg C, 1.5 h 2: 0 deg C then 20 deg C, 4h View Scheme

: 106-39-8
bromochlorobenzene

: 98-86-2
acetophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
Stage #1: bromochlorobenzene With magnesium In tetrahydrofuran Stage #2: acetophenone In tetrahydrofuran at 0℃; for 2h;

: 917-64-6
methyl magnesium iodide

: 134-85-0
4-chlorobenzophenone

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether at 0 - 20℃; Schlenk technique; Inert atmosphere;

: 18218-20-7
1-(4-chlorophenyl)-1-phenylethene

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

Conditions

Conditions	Yield
With oxygen; potassium carbonate; isopropyl alcohol at 150℃; under 3000.3 Torr; for 12h; regioselective reaction;	> 99 %Chromat.

: 64822-11-3
1-(2-Chloroethyl)-4-ethoxycarbonylpiperazine

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: 101620-46-6
4-{2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-(ethoxycarbonyl)piperazine

Conditions

Conditions	Yield
	89%
	89%

: 54777-54-7, 61771-17-3, 63527-58-2, 67529-19-5
2-(2-chloro-ethyl)-1-methyl-pyrrolidine

: 110-15-6
succinic acid

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: clemastine succinate

Conditions

Conditions	Yield
Stage #1: 2-(2-chloro-ethyl)-1-methyl-pyrrolidine; 1-(4-chloro-phenyl)-1-phenyl-ethanol With sodium amide In toluene at 80℃; Large scale; Stage #2: succinic acid In ethyl acetate at 60 - 65℃; for 0.5h; Large scale;	55%

...Expand

: 3709-20-4
dimethyl 2-phenyl-1,1-cyclopropanedicarboxylate

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: (Z)-dimethyl 2-(4-(4-chlorophenyl)-2,4-diphenylbut-3-en-1-yl)malonate

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In dichloromethane at 80℃; Sealed tube; diastereoselective reaction;	42%

: 67499-71-2
(+)-(R)-2-(2-chloroethyl)-1-methylpyrrolidine hydrochloride

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: 1174565-35-5
(R)-2-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine

Conditions

Conditions	Yield
With sodium amide In toluene for 8h; Reflux;	36%

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: (-)-(S)-2-(2-chloroethyl)-1-methylpyrrolidine

A: 61771-18-4
4-[1-(4-Chloro-phenyl)-1-phenyl-ethoxy]-1-methyl-azepane

B: 61826-31-1
(S)-2-(2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl)-1-methylpyrrolidine

C: (S)-2-(2-[(1S)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl)-1-methylpyrrolidine

Conditions

Conditions	Yield
Stage #1: 1-(4-chloro-phenyl)-1-phenyl-ethanol With sodium hydride In toluene; mineral oil for 3h; Reflux; Stage #2: (-)-(S)-2-(2-chloroethyl)-1-methylpyrrolidine In toluene; mineral oil at 20℃; Reflux; Inert atmosphere;	A 15% B n/a C n/a

...Expand

: 1932-03-2
2-(piperidin-4-yl)ethyl chloride

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: 102071-02-3
1-{2-[1-(4-chloro-phenyl)-1-phenyl-ethoxy]-ethyl}-piperidine

Conditions

Conditions	Yield
With sodium amide; toluene
With sodium amide; toluene

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: 622-58-2
p-Tolylisocyanate

: 90862-22-9
p-Tolyl-carbamic acid 1-(4-chloro-phenyl)-1-phenyl-ethyl ester

Conditions

Conditions	Yield
With stannous octoate In toluene at 60℃;

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: 107-99-3
2-(dimethylamino)ethyl chloride

: 77-38-3
chlorphenoxamine

Conditions

Conditions	Yield
With sodium amide In toluene for 4h; Heating; Yield given;

: 59767-24-7
1-(4-chloro-phenyl)-1-phenyl-ethanol

: 122-04-3
4-nitro-benzoyl chloride

: 460742-55-6
4-nitro-benzoic acid 1-(4-chloro-phenyl)-1-phenyl-ethyl ester

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -30 - 20℃;

1-(4-Chlorophenyl)-1-phenylethanol Specification

The Benzenemethanol, 4-chloro-α-methyl-α-phenyl-, with the CAS registry number 59767-24-7, is also known as 4-Chloro(α-methyl-α-phenyl)benzenemethanol. This chemical's molecular formula is C₁₄H₁₃ClO and molecular weight is 232.70542. What's more, its systematic name is 1-(4-Chlorophenyl)-1-phenylethanol

Physical properties about Benzenemethanol, 4-chloro-α-methyl-α-phenyl- are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 373; (6)ACD/BCF (pH 7.4): 373; (7)ACD/KOC (pH 5.5): 2410; (8)ACD/KOC (pH 7.4): 2410; (9)#H bond acceptors: 1 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3 ; (12) Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 66.202 cm³; (15)Molar Volume: 195.656 cm³ ; (16)Polarizability: 26.245×10^-24 cm³; (17)Surface Tension: 43.537 dyne/cm; (18)Density: 1.189 g/cm³; (19)Flash Point: 170.456 °C ; (20)Enthalpy of Vaporization: 63.701 kJ/mol; (21)Boiling Point: 358.237 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(C)(c1ccc(Cl)cc1)c2ccccc2
(2) InChI: InChI=1/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3
(3) InChIKey: MHJLXHJZQCHSIT-UHFFFAOYAI

Product Name

1 -(4-CHLOROPHENYL)-1 -PHENYLETHANOL

Synthetic route

1-(4-Chlorophenyl)-1-phenylethanol Specification

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