CAS No.2627-86-3,L-1-Phenylethylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2627-86-3
Name:	L-1-Phenylethylamine
Article Data:	257

Formula:	C₈H₁₁N
Molecular Weight:	121.182
Synonyms:	Benzenemethanamine,a-methyl-, (S)-;(-)-((S)-a-Methylbenzyl)amine;(-)-1-Phenethylamine;(-)-a-Methylbenzenemethanamine;(1S)-1-Phenylethanamine;(S)-(-)-a-Methylbenzylamine;(S)-1-Amino-1-phenylethane;(S)-1-Phenethylamine;(S)-1-Phenyl-1-ethanamine;(S)-Phenethylamine;(S)-a-Methylbenzenemethanamine;(S)-a-Phenylethylamine;D-(-)-(a-Phenylethyl)amine;L-(-)-a-Methylbenzylamine;L-1-Amino-ethylbenzene;L-a-Methylbenzylamine;(S)-(-)-α-Methylbenzylamine;L-1-Phenylethylamine;
EINECS:	220-098-0
Density:	0.956 g/cm³
Melting Point:	-10 °C
Boiling Point:	183 °C at 760 mmHg
Flash Point:	75.8 °C
Solubility:	slightly soluble in water
Appearance:	Colorless to light yellow liquid
Hazard Symbols:	C,Xi
Risk Codes:	21/22-34-35
Safety:	26-28-36/37/39-45-28A-27
Transport Information:	UN 2922 8/PG 2
PSA:	26.02000
LogP:	2.40660

Synthetic route

: 874291-45-9
(S)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide

: 2627-86-3
(S)-1-phenyl-ethylamine

Conditions

Conditions	Yield
Stage #1: (S)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; potassium tert-butylate; 2-Amino-2-methyl-1-propanol In isopropyl alcohol at 50℃; for 2h; Molecular sieve; Stage #2: With hydrogenchloride In methanol optical yield given as %ee; diastereoselective reaction;	96%
Stage #1: (S)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide With [RhCl2(p-cymene)]2; potassium tert-butylate; 2-Amino-2-methyl-1-propanol; isopropyl alcohol at 50℃; for 0.5h; Inert atmosphere; Microwave irradiation; Molecular sieve; Stage #2: With hydrogenchloride In methanol at 20℃; Inert atmosphere; enantioselective reaction;	96%
Multi-step reaction with 2 steps 1: [RhCl2(p-cymene)]2; potassium tert-butylate; 2-Amino-2-methyl-1-propanol; isopropyl alcohol / 2 h / 50 °C / Inert atmosphere; Molecular sieve 2: hydrogenchloride / methanol / 20 °C View Scheme

: 98-86-2
acetophenone

: 2627-86-3
(S)-1-phenyl-ethylamine

Conditions

Conditions	Yield
With formate dehydrogenase; Arthrobacter citreus S9 ω-transaminase; ATA-113 ω-transaminase; sodium formate; isopropylamine; NADH; yeast alcohol dehydrogenase pH=7; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee;	99%
Stage #1: acetophenone With Ru(2+)2C2H3O2(1-)C77H108O6P2; ammonium acetate; hydrogen In 2,2,2-trifluoroethanol at 80℃; under 53203.6 Torr; for 24h; Inert atmosphere; Autoclave; Stage #2: With hydrogenchloride In 2,2,2-trifluoroethanol; water at 80℃; for 6h; Reagent/catalyst; Temperature; Pressure; enantioselective reaction;	98%
With glucose dehydrogenase; sodium hydroxide; L-alanin; ATA-103 transaminase; NADH; 2,3,4,5,6-pentahydroxy-hexanal; pyridoxal 5'-phosphate; lactate dehydrogenase at 30℃; for 10h; pH=7.5; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee;	96%

: 98-86-2
acetophenone

A: 2627-86-3
(S)-1-phenyl-ethylamine

B: 3886-69-9
(R)-1-phenyl-ethyl-amine

Conditions

Conditions	Yield
Stage #1: acetophenone With [((R)-tol-binap)RuCl2(DMF)x]; ammonia; ammonium formate In methanol at 85℃; for 20h; Leuckart-Wallach reaction; Stage #2: With hydrogenchloride In ethanol for 1h; Heating; Title compound not separated from byproducts;
Stage #1: acetophenone With ammonium acetate; sodium cyanoborohydride In methanol at 20℃; reductive amination; Stage #2: racemate resolution; Further stages.;
With ammonia; ammonium formate In methanol optical yield given as %ee;

: 15754-20-8
(E)-acetophenone O-methyloxime

: 2627-86-3
(S)-1-phenyl-ethylamine

Conditions

Conditions	Yield
With borane-THF; 1-[([1,3,2]dioxaborolan-2-yloxy)-diphenyl-methyl]-2-methylpropylamine In 1,4-dioxane at 0℃; Product distribution / selectivity;	85%
With borane-THF; (1S,2R)-1-amino-2-indanol In tetrahydrofuran at -20 - 70℃; Reduction;
With dimethylsulfide borane complex; enantiopure spiroborate ester In tetrahydrofuran at 25℃; for 36h;

: 937371-88-5
(E)-acetophenone O-(2-nitrobenzyl) oxime

: 2627-86-3
(S)-1-phenyl-ethylamine

Conditions

Conditions	Yield
With borane-THF; 1-[([1,3,2]dioxaborolan-2-yloxy)-diphenyl-methyl]-2-methylpropylamine In 1,4-dioxane at 0℃; Product distribution / selectivity;	95%
With dimethylsulfide borane complex; enantiopure spiroborate ester In tetrahydrofuran at 25℃; for 36h;

: 17279-30-0
(S)-(-)-α-methylbenzylamine hydrochloride

: 2627-86-3
(S)-1-phenyl-ethylamine

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane	97.4%
With sodium hydroxide In water Large scale;

: (SS,S)-N-(tert-butanesulfinyl) 1-phenylethylamine

: 2627-86-3
(S)-1-phenyl-ethylamine

Conditions

Conditions	Yield
With hydrogenchloride; D-sorbitol; choline chloride In water at 25℃; for 3h;	98%
Stage #1: (SS,S)-N-(tert-butanesulfinyl) 1-phenylethylamine With thionyl chloride In methanol at 20℃; Inert atmosphere; Stage #2: With hydrogenchloride In water Inert atmosphere; Stage #3: With ammonia; ammonium chloride In water Inert atmosphere; optical yield given as %ee; enantioselective reaction;
Stage #1: (SS,S)-N-(tert-butanesulfinyl) 1-phenylethylamine With hydrogenchloride In methanol at 20℃; Stage #2: With ammonia; ammonium chloride In water

: 937371-86-3
(E)-acetophenone O-(4-methoxybenzyl) oxime

: 2627-86-3
(S)-1-phenyl-ethylamine

Conditions

Conditions	Yield
With borane-THF; 1-[([1,3,2]dioxaborolan-2-yloxy)-diphenyl-methyl]-2-methylpropylamine In 1,4-dioxane at 0℃; Product distribution / selectivity;	70%
With dimethylsulfide borane complex; enantiopure spiroborate ester In tetrahydrofuran at 25℃; for 36h;

: 3480-59-9, 4108-58-1, 20826-48-6, 28623-68-9
(S)-N-(1-phenylethyl)benzamide

: 2627-86-3
(S)-1-phenyl-ethylamine

Conditions

Conditions	Yield
With ammonium bromide; ethylenediamine at 80℃; for 10h; Reagent/catalyst; Microwave irradiation;	93%

: 937371-87-4
(E)-acetophenone O-(4-trifluoromethyl benzyl) oxime

: 2627-86-3
(S)-1-phenyl-ethylamine

Conditions

Conditions	Yield
With borane-THF; 1-[([1,3,2]dioxaborolan-2-yloxy)-diphenyl-methyl]-2-methylpropylamine In 1,4-dioxane at 0℃; Product distribution / selectivity;	60%
With dimethylsulfide borane complex; enantiopure spiroborate ester In tetrahydrofuran at 25℃; for 36h;

Raw Materials

6290-49-9

249920-08-9

100-46-9

36065-27-7

98-86-2

618-36-0

Downstream Products

112-20-9

100-41-4

Total:183 Page 1 of 5 1 2 3 4 5 Next>>

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Specification

(S)-(-)-1-Phenylethylamine, has the Synonyms of Benzenemethanamine, a-methyl-, (aS)-; (S)-alpha-Methylbenzenemethanamine; EINECS 220-098-0; L-alpha-Methylbenzylamine. with the CAS NO.2627-86-3, it belongs to the ProductCategories of chiral; Amines (Chiral); Analytical Chemistry; Asymmetric Synthesis; Chiral Building Blocks; Chiral Compound; Amines; Aromatics; Chiral Reagents. (S)-(-)-1-Phenylethylamine is used as food flavors.

Physical properties about (S)-(-)-1-Phenylethylamine are: (1)ACD/LogP: 1.718; (2)ACD/LogD (pH 5.5): -1.25; (3)ACD/LogD (pH 7.4): 0.08; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 4.75; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 39.34 cm³; (13)Molar Volume: 126.677 cm³; (14)Polarizability: 15.596 10-24cm³; (15)Surface Tension: 36.5950012207031 dyne/cm; (16)Density: 0.957 g/cm³; (17)Flash Point: 75.803 °C; (18)Enthalpy of Vaporization: 41.925 kJ/mol; (19)Boiling Point: 183.007 °C at 760 mmHg; (20)Vapour Pressure: 0.787999987602234 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer);
3. Wear suitable protective clothing, gloves and eye/face protection;
4. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
5. Take off immediately all contaminated clothing;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1;
(2)InChIKey=RQEUFEKYXDPUSK-ZETCQYMHSA-N;
(3)SmilesN[C@H](c1ccccc1)C