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30339-30-1

Basic Information
CAS No.: 30339-30-1
Name: (S)-1-PHENYL-2-(P-TOLYL)ETHYLAMINE
Article Data: 6
Molecular Structure:
Molecular Structure of 30339-30-1 ((S)-1-PHENYL-2-(P-TOLYL)ETHYLAMINE)
Formula: C15H17N
Molecular Weight: 211.307
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;
Density: 1.038 g/cm3
Melting Point: 140.5 °C
Boiling Point: 317.847 °C at 760 mmHg
Flash Point: 145.798 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 26.02000
LogP: 3.93780
Synthetic route
492-41-1

(1R,2S)-norephedrine

113683-85-5, 136534-11-7

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

30339-30-1

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

Conditions
ConditionsYield
With borane In tetrahydrofuran at 20℃;82%
492-41-1

(1R,2S)-norephedrine

123982-65-0

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

30339-30-1

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

Conditions
ConditionsYield
With borane In tetrahydrofuran at 20℃;64%
492-41-1

(1R,2S)-norephedrine

111630-13-8

phenyl p-tolylmethyl ketone O-methyloxime

30339-30-1

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

Conditions
ConditionsYield
With borane In tetrahydrofuran at 20℃;64%
30275-30-0

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

A

30339-30-1

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

B

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;
492-41-1

(1R,2S)-norephedrine

123982-67-2

C18H23NOSi

30339-30-1

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

Conditions
ConditionsYield
With borane In tetrahydrofuran at 20℃; Yield given;
1254780-66-9

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

30339-30-1

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

Conditions
ConditionsYield
With sodium hydroxide In water; toluene at 25℃; for 0.5h; pH=12;
153002-83-6

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

30339-30-1

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

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

Conditions
ConditionsYield
77%
126575-05-1

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

30339-30-1

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

C10H11NO3*C15H17N

Conditions
ConditionsYield
In methanol37.9%
33329-70-3

ethyl 1-formylcyclopropane-1-carboxylate

30339-30-1

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

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

30339-30-1

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

136476-41-0

1,1-cyclopropanedicarboxaldehyde

122-51-0

orthoformic acid triethyl ester

A

(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

Conditions
ConditionsYield
With sodium hydrogencarbonate; sodium hydrogensulfite In ethanol; water; toluene
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    30339-30-1

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    (S)-1-Phenyl-2-(P-tolyl)ethylamine

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    (1s)-2-(4-methylphenyl)-1-phenylethanamine

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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