Product Name

  • Name

    (S)-1-PHENYL-2-(P-TOLYL)ETHYLAMINE

  • EINECS
  • CAS No. 30339-30-1
  • Article Data6
  • CAS DataBase
  • Density 1.038 g/cm3
  • Solubility
  • Melting Point 140.5 °C
  • Formula C15H17N
  • Boiling Point 317.847 °C at 760 mmHg
  • Molecular Weight 211.307
  • Flash Point 145.798 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 30339-30-1 ((S)-1-PHENYL-2-(P-TOLYL)ETHYLAMINE)
  • Hazard Symbols
  • Synonyms Benzeneethanamine,4-methyl-a-phenyl-, (S)-;Phenethylamine,p-methyl-a-phenyl-, (+)- (8CI);(+)-1-Phenyl-2-p-tolylethylamine;(S)-(+)-1-Phenyl-2-(4-tolyl)ethylamine;(S)-(+)-1-Phenyl-2-(p-tolyl)ethylamine;(S)-1-Phenyl-2-p-tolylethylamine;(S)-2-(p-Tolyl)-1-phenylethylamine;
  • PSA 26.02000
  • LogP 3.93780

Synthetic route

(1R,2S)-norephedrine
492-41-1

(1R,2S)-norephedrine

1-Phenyl-2-p-tolyl-ethanone O-benzyl-oxime
113683-85-5, 136534-11-7

1-Phenyl-2-p-tolyl-ethanone O-benzyl-oxime

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

Conditions
ConditionsYield
With borane In tetrahydrofuran at 20℃;82%
(1R,2S)-norephedrine
492-41-1

(1R,2S)-norephedrine

1-Phenyl-2-p-tolyl-ethanone O-octyl-oxime
123982-65-0

1-Phenyl-2-p-tolyl-ethanone O-octyl-oxime

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

Conditions
ConditionsYield
With borane In tetrahydrofuran at 20℃;64%
(1R,2S)-norephedrine
492-41-1

(1R,2S)-norephedrine

phenyl p-tolylmethyl ketone O-methyloxime
111630-13-8

phenyl p-tolylmethyl ketone O-methyloxime

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

Conditions
ConditionsYield
With borane In tetrahydrofuran at 20℃;64%
1-phenyl-2-(p-tolyl)ethylamine
30275-30-0

1-phenyl-2-(p-tolyl)ethylamine

A

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

B

(R)-1-phenyl-(2-p-tolyl)ethylamine
30339-32-3

(R)-1-phenyl-(2-p-tolyl)ethylamine

Conditions
ConditionsYield
A 36%
B n/a
A n/a
B 16%
Stage #1: 1-phenyl-2-(p-tolyl)ethylamine With (R)-(2,2-Me2-1,3-dioxa-c-pentan-3-yl)methyl monophthalate In water; isopropyl alcohol at 20℃; for 4h;
Stage #2: With sulfuric acid In ethyl acetate		A 600 mg
B n/a
With chiral stationary phase including isopropyl-functionalized CF6 In methanol; acetic acid; triethylamine; acetonitrile at 20℃; Purification / work up;
(1R,2S)-norephedrine
492-41-1

(1R,2S)-norephedrine

C18H23NOSi
123982-67-2

C18H23NOSi

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

Conditions
ConditionsYield
With borane In tetrahydrofuran at 20℃; Yield given;
(S)-3-(benzo[1,3]dioxol-5-yl)-2-methylpropionate (S)-1-phenyl-2-(p-tolyl)ethylammonium
1254780-66-9

(S)-3-(benzo[1,3]dioxol-5-yl)-2-methylpropionate (S)-1-phenyl-2-(p-tolyl)ethylammonium

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

Conditions
ConditionsYield
With sodium hydroxide In water; toluene at 25℃; for 0.5h; pH=12;
S-2-pyridyl 3-cyanoandrosta-3,5-diene-17β-thiocarboxylate
153002-83-6

S-2-pyridyl 3-cyanoandrosta-3,5-diene-17β-thiocarboxylate

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]-3-cyanoandrosta-3,5-diene-17β-carboxamide

N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]-3-cyanoandrosta-3,5-diene-17β-carboxamide

Conditions
ConditionsYield
77%
DL-3-(N-formylamino)-3-phenylpropionic acid
126575-05-1

DL-3-(N-formylamino)-3-phenylpropionic acid

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

C10H11NO3*C15H17N

C10H11NO3*C15H17N

Conditions
ConditionsYield
In methanol37.9%
ethyl 1-formylcyclopropane-1-carboxylate
33329-70-3

ethyl 1-formylcyclopropane-1-carboxylate

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

1-[(RS)-1-Cyano-[(S)-1-phenyl-2-p-tolylethylamino]methyl]-1-ethoxycarbonylcyclopropane

1-[(RS)-1-Cyano-[(S)-1-phenyl-2-p-tolylethylamino]methyl]-1-ethoxycarbonylcyclopropane

Conditions
ConditionsYield
With hydrogenchloride In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; ethanol; water251 mg (67%)
p-toluenesulfonate monohydrate

p-toluenesulfonate monohydrate

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

1,1-cyclopropanedicarboxaldehyde
136476-41-0

1,1-cyclopropanedicarboxaldehyde

orthoformic acid triethyl ester
122-51-0

orthoformic acid triethyl ester

A

(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-{[(1S)-1-phenyl-2-(p-tolyl)ethyl]amino}acetonitrile

(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-{[(1S)-1-phenyl-2-(p-tolyl)ethyl]amino}acetonitrile

B

(2S)-2-[1-(diethoxymethyl)cyclopropyl]-2-{[(1S)-1-phenyl-2-(p-tolyl)ethyl]amino}acetonitrile

(2S)-2-[1-(diethoxymethyl)cyclopropyl]-2-{[(1S)-1-phenyl-2-(p-tolyl)ethyl]amino}acetonitrile

Conditions
ConditionsYield
With sodium hydrogencarbonate; sodium hydrogensulfite In ethanol; water; toluene
...Expand
(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

1,1-cyclopropanedicarboxaldehyde
136476-41-0

1,1-cyclopropanedicarboxaldehyde

orthoformic acid triethyl ester
122-51-0

orthoformic acid triethyl ester

A

(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-{[(1S)-1-phenyl-2-(p-tolyl)ethyl]amino}acetonitrile

(2R)-2-[1-(diethoxymethyl)cyclopropyl]-2-{[(1S)-1-phenyl-2-(p-tolyl)ethyl]amino}acetonitrile

B

(2S)-2-[1-(diethoxymethyl)cyclopropyl]-2-{[(1S)-1-phenyl-2-(p-tolyl)ethyl]amino}acetonitrile

(2S)-2-[1-(diethoxymethyl)cyclopropyl]-2-{[(1S)-1-phenyl-2-(p-tolyl)ethyl]amino}acetonitrile

Conditions
ConditionsYield
Stage #1: 1,1-cyclopropanedicarboxaldehyde; orthoformic acid triethyl ester With ethanol; toluene-4-sulfonic acid In toluene at 0 - 40℃; for 1h;
Stage #2: (S)-2-(4-methylphenyl)-1-phenylethylamine With sodium hydrogencarbonate In water; toluene at 0℃; for 0.5h;
Stage #3: With potassium cyanide; sodium hydrogensulfite In water; toluene at 50℃; for 2h;
...Expand
3-(3,4-methylenedioxyphenyl)-2-methylpropionic acid
77269-66-0

3-(3,4-methylenedioxyphenyl)-2-methylpropionic acid

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

A

(S)-3-(benzo[1,3]dioxol-5-yl)-2-methylpropionate (S)-1-phenyl-2-(p-tolyl)ethylammonium
1254780-66-9

(S)-3-(benzo[1,3]dioxol-5-yl)-2-methylpropionate (S)-1-phenyl-2-(p-tolyl)ethylammonium

B

(R)-3-(benzo[1,3]dioxol-5-yl)-2-methylpropionate (S)-1-phenyl-2-(p-tolyl)ethylammonium

(R)-3-(benzo[1,3]dioxol-5-yl)-2-methylpropionate (S)-1-phenyl-2-(p-tolyl)ethylammonium

Conditions
ConditionsYield
In methanol; isopropyl alcohol at 20 - 70℃; for 4.5h;
...Expand
aquabis(dimethylglyoximato)[(racemic)-1-(ethoxycarbonyl)ethyl]cobalt(III)

aquabis(dimethylglyoximato)[(racemic)-1-(ethoxycarbonyl)ethyl]cobalt(III)

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

bis(dimethylglyoximato)[(S)-1-(ethoxycarbonyl)ethyl][(S)-1-phenyl-2-(p-tolyl)ethylamine]cobalt(III)

bis(dimethylglyoximato)[(S)-1-(ethoxycarbonyl)ethyl][(S)-1-phenyl-2-(p-tolyl)ethylamine]cobalt(III)

Conditions
ConditionsYield
In methanol; water Co complex dissolved in aq. MeOH; ligand added; stirred for 1 h; recrystd. from aq. MeOH; Co complex with (S)-(ethoxycarbonyl)ethyl ligand obtained;
(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

(S)-1-((R)-1-(tert-butoxycarbonyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
87603-13-2

(S)-1-((R)-1-(tert-butoxycarbonyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid

C30H39N3O4

C30H39N3O4

Conditions
ConditionsYield
With 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 5h;
2,2'-dihydroxybenzil
85-26-7

2,2'-dihydroxybenzil

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

C44H40N2O2

C44H40N2O2

C44H40N2O2

C44H40N2O2

Conditions
ConditionsYield
In ethanol at 80℃; for 6h; diastereoselective reaction;A n/a
B n/a
...Expand
(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

(S)-(6-methyl-2-phenylindolin-1-yl)(pyridin-2-yl)methanone

(S)-(6-methyl-2-phenylindolin-1-yl)(pyridin-2-yl)methanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dmap; triethylamine / dichloromethane / 24 h / 20 °C / Inert atmosphere
2: copper diacetate / N,N-dimethyl-formamide / 0.67 h / 200 °C / Microwave irradiation
View Scheme
2-picolinoyl chloride hydrochloride
39901-94-5

2-picolinoyl chloride hydrochloride

(S)-2-(4-methylphenyl)-1-phenylethylamine
30339-30-1

(S)-2-(4-methylphenyl)-1-phenylethylamine

C21H20N2O

C21H20N2O

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 20℃; for 24h; Inert atmosphere;

(S)-2-(4-Methylphenyl)-1-phenylethylamine Specification

The (S)-1-Phenyl-2-(p-tolyl)ethylamine, with the CAS registry number 30339-30-1, is also known as Benzeneethanamine, 4-methyl-α-phenyl-, (alphaS)-. It belongs to the product categories of Chiral; Amines (Chiral); Chiral Building Blocks; For Resolution of Acids; Optical Resolution; Synthetic Organic Chemistry. This chemical's molecular formula is C15H17N and molecular weight is 211.30218. Its systematic name is called (1S)-2-(4-methylphenyl)-1-phenylethanamine. This chemical is commonly used as chemical reagent. You should keep its container tightly sealed which should be stored in a cool, dry place and ensure workplaces have good ventilation or exhaust.

Physical properties of (S)-1-Phenyl-2-(p-tolyl)ethylamine: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.589; (7)Molar Refractivity: 68.653 cm3; (8)Molar Volume: 203.653 cm3; (9)Surface Tension: 42.951 dyne/cm; (10)Density: 1.038 g/cm3; (11)Flash Point: 145.798 °C; (12)Enthalpy of Vaporization: 55.93 kJ/mol; (13)Boiling Point: 317.847 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N[C@H](c1ccccc1)Cc2ccc(cc2)C
(2)InChI: InChI=1/C15H17N/c1-12-7-9-13(10-8-12)11-15(16)14-5-3-2-4-6-14/h2-10,15H,11,16H2,1H3/t15-/m0/s1
(3)InChIKey: ZICDZTXDTPZBKH-HNNXBMFYBF

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