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CAS No.: | 163837-57-8 |
---|---|
Name: | (-)-ALPHA-(4-CHLOROPHENYL)BENZYLAMINE (+)-TARTRATE SALT |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C13H12ClN |
Molecular Weight: | 217.698 |
Synonyms: | (-)-4-Chlorobenzhydrylamine;(-)-[(4-Chlorophenyl)phenylmethyl]amine;(R)-a-(4-Chlorophenyl)benzylamine; |
Density: | 1.175g/cm3 |
Boiling Point: | 336.8 °C at 760 mmHg |
Flash Point: | 194.3 °C |
PSA: | 141.08000 |
LogP: | 1.96580 |
(R)-(4-chlorophenyl)(phenyl)methylamine
Conditions | Yield |
---|---|
With lithium hydroxide; water In acetonitrile at 50℃; for 3h; Hydrolysis; | 100% |
(R)-N-((4-chlorophenyl)(phenyl)methyl)-N’,N’-dimethylsulfamide
(R)-(4-chlorophenyl)(phenyl)methylamine
Conditions | Yield |
---|---|
With Trimethylenediamine for 0.5h; Microwave irradiation; enantioselective reaction; | 99% |
With Trimethylenediamine for 2h; microwave irradiation; | 96% |
(R)-N-tert-butyloxycarbonyl-α-(4-chlorophenyl)benzylamine
(R)-(4-chlorophenyl)(phenyl)methylamine
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; dichloromethane at 0 - 20℃; for 4h; Inert atmosphere; | 95% |
With hydrogenchloride In dichloromethane; ethyl acetate at 0℃; Schlenk technique; | 88% |
(R)-N-((4-chlorophenyl)(phenyl)methyl)benzamide
(R)-(4-chlorophenyl)(phenyl)methylamine
Conditions | Yield |
---|---|
Stage #1: (R)-N-((4-chlorophenyl)(phenyl)methyl)benzamide With triphenyl phosphite; chlorine; triethylamine In chloroform at -30℃; for 3h; Inert atmosphere; Stage #2: With propan-1-ol In chloroform at -30 - 20℃; for 3h; Inert atmosphere; Stage #3: With water In methanol at 20℃; for 12h; optical yield given as %ee; | 80% |
p-chlorobenzhydrylamine
(R)-(4-chlorophenyl)(phenyl)methylamine
Conditions | Yield |
---|---|
With L-Tartaric acid at 30 - 90℃; Inert atmosphere; | 70% |
With sodium tetrahydroborate; porcine kidney D-amino acid oxidase variant I230A/R283G In aq. buffer at 30℃; for 1h; pH=9; Enzymatic reaction; stereoselective reaction; | 46.2% |
Conditions | Yield |
---|---|
Stage #1: triphenylborane; (1S,3S,4R)-2-(4-chlorophenylmethyl)-3-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-2-thioniabicyclo[2.2.1]heptane tetrafluoroborate With lithium hexamethyldisilazane In tetrahydrofuran; 1,4-dioxane at 5℃; for 5h; Stage #2: With hydroxylamine-O-sulfonic acid | 68% |
p-chlorobenzhydrylamine
A
(4-chlorophenyl)phenylmethanol
B
4-chlorobenzophenone
C
(R)-(4-chlorophenyl)(phenyl)methylamine
Conditions | Yield |
---|---|
With hydrogenchloride; borane-ammonia complex In aq. phosphate buffer at 37℃; pH=7.8; | A n/a B n/a C 45% |
(R)-(-)-N-[(1E)-(4-chlorophenyl)methylene]-2-methyl-2-propanesulfinamide
A
(R)-(4-chlorophenyl)(phenyl)methylamine
B
(S)-4-chloro-α-phenyl-benzenemethanamine
Conditions | Yield |
---|---|
Stage #1: phenylmagnesium bromide; (R)-(-)-N-[(1E)-(4-chlorophenyl)methylene]-2-methyl-2-propanesulfinamide In diethyl ether at -20℃; Stage #2: With hydrogenchloride In methanol at 22℃; | |
Stage #1: phenylmagnesium bromide; (R)-(-)-N-[(1E)-(4-chlorophenyl)methylene]-2-methyl-2-propanesulfinamide In toluene Stage #2: With hydrogenchloride In methanol |
(R)-(+)-N-[(4-chlorophenyl)(phenyl)methyl]formamide
(R)-(4-chlorophenyl)(phenyl)methylamine
Conditions | Yield |
---|---|
With hydrogenchloride In methanol at 50℃; for 4h; |
A
(R)-(4-chlorophenyl)(phenyl)methylamine
B
(S)-4-chloro-α-phenyl-benzenemethanamine
Conditions | Yield |
---|---|
Stage #1: phenylmagnesium bromide; 2-Methyl-butane-2-sulfinic acid 1-(4-chloro-phenyl)-meth-(E)-ylideneamide In toluene Stage #2: With hydrogenchloride In methanol |
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The (-)-4-Chlorobenzhydrylamine, with CAS registry number 163837-57-8, has the systematic name of 1-(4-chlorophenyl)-1-phenylmethanamine. Besides this, it is also called benzenemethanamine, 4-chloro-α-phenyl. And the chemical formula od this chemical is C13H12ClN.
Physical properties of (-)-4-Chlorobenzhydrylamine: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.607; (8)Molar Refractivity: 64 cm3; (9)Molar Volume: 185.2 cm3; (10)Polarizability: 25.37×10-24cm3; (11)Surface Tension: 45.8 dyne/cm; (12)Enthalpy of Vaporization: 58 kJ/mol; (13)Vapour Pressure: 0.000109 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(N)c2ccccc2
(2)InChI: InChI=1/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2
(3)InChIKey: XAFODXGEQUOEKN-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2
(5)Std. InChIKey: XAFODXGEQUOEKN-UHFFFAOYSA-N