(S)-2-Methoxy-1-phenylethanamine

Base Information

• Chemical Name: (S)-2-Methoxy-1-phenylethanamine
• CAS No.: 91298-74-7
• Molecular Formula: C9H13 N O
• Molecular Weight: 151.208
• Hs Code.: 2922190090
• European Community (EC) Number: 696-380-6
• DSSTox Substance ID: DTXSID90472055
• Nikkaji Number: J1.454.763K
• Wikidata: Q82300817
• Mol file: 91298-74-7.mol

Synonyms:(S)-2-Methoxy-1-phenylethanamine;91298-74-7;(S)-(+)-1-AMINO-1-PHENYL-2-METHOXYETHANE;(1S)-2-methoxy-1-phenylethanamine;(S)-2-methoxy-1-phenylethan-1-amine;MFCD01862273;(1S)-2-methoxy-1-phenylethan-1-amine;(S)-(+)-2-Methoxy-1-phenylethylamine;SCHEMBL57799;(s)-phenylglycinol methyl ether;DTXSID90472055;CMTDMIYJXVBUDX-SECBINFHSA-N;(1S)-2-methoxy-1-phenylethylamine;(1S)-2-Methoxy-1-phenyl-ethanamine;AKOS016842759;(S)-1-amino-1-phenyl-2-methoxyethane;BS-24834;CS-0138293;N12553;EN300-6889890;A860541;(S)-(+)-1-amino-1-phenyl-2-methoxyethane, AldrichCPR

Chemical Property of (S)-2-Methoxy-1-phenylethanamine

Chemical Property:

• Vapor Pressure: 0.067mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 230.2°Cat760mmHg
• PKA: 8.90±0.10(Predicted)
• Flash Point: 79.6°C
• PSA: 35.25000
• Density: 1.011g/cm³
• LogP: 2.03310
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

97% ^*data from raw suppliers

(1S)-2-Methoxy-1-phenylethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-52

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(C1=CC=CC=C1)N
• Isomeric SMILES: COC[C@H](C1=CC=CC=C1)N
• Uses: (1S)-2-Methoxy-1-phenylethylamine is an intermediate for G700620.

Technology Process of (S)-2-Methoxy-1-phenylethanamine

There total 11 articles about (S)-2-Methoxy-1-phenylethanamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

D-2-phenylglycinol (56613-80-0) + methyl iodide (74-88-4) → (R)-2-methoxy-1-phenylethylamine (64715-85-1,91298-74-7,127180-88-5)

Guidance literature:

D-2-phenylglycinol; With potassium hydride; In tetrahydrofuran; at 25 ℃; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at 25 ℃; for 5h; Inert atmosphere;

DOI:10.15227/orgsyn.075.0019

Reference yield: 92.0%

(2S)-2-phenylglycinol (20989-17-7) + methyl iodide (74-88-4) → (S)-2-methoxy-1-phenylethylamine (91298-74-7)

Guidance literature:

(2S)-2-phenylglycinol; With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 2h; Cooling with ice;

methyl iodide; In tetrahydrofuran; mineral oil; at 20 - 70 ℃; for 3h; Inert atmosphere;

Reference yield: 85.0%

(R)-N-benzylidene-2-hydroxy-1-phenylethylamine (74879-43-9,92850-36-7,142292-44-2,139437-46-0) → (R)-2-methoxy-1-phenylethylamine (64715-85-1,91298-74-7,127180-88-5)

Guidance literature:

(R)-N-benzylidene-2-hydroxy-1-phenylethylamine; MeHal; With sodium hydride; In tetrahydrofuran; at 20 - 40 ℃; for 2.25h;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; at 20 ℃; for 3h;

DOI:10.1016/S0957-4166(02)00587-6

upstream raw materials:

D-2-phenylglycinol

methyl iodide

(R)-phenylglycine

(R)-N-benzylidene-2-hydroxy-1-phenylethylamine

Downstream raw materials:

R(-)-N-(1-phenyl-2-methoxyethyl)-N-trimethylsilylmethylamine

1-((R)-2-Methoxy-1-phenyl-ethyl)-1,5-dihydro-pyrrol-2-one

((R)-2-Methoxy-1-phenyl-ethyl)-[3-methylsulfanyl-prop-(E)-ylidene]-amine

4-[(E)-(R)-2-Methoxy-1-phenyl-ethylimino]-butyric acid tert-butyl ester