(1S,2S)-(+)-2-Amino-3-methoxy-1-phenyl-1-propanol

Base Information

• Chemical Name: (1S,2S)-(+)-2-Amino-3-methoxy-1-phenyl-1-propanol
• CAS No.: 51594-34-4
• Molecular Formula: C10H15NO2
• Molecular Weight: 181.235
• Hs Code.: 2922509090
• European Community (EC) Number: 623-521-0
• DSSTox Substance ID: DTXSID00415938
• Nikkaji Number: J364.697A
• Wikidata: Q76303657
• Mol file: 51594-34-4.mol

Synonyms:(1S,2S)-(+)-2-Amino-3-methoxy-1-phenyl-1-propanol;51594-34-4;(1S,2S)-2-amino-3-methoxy-1-phenylpropan-1-ol;SCHEMBL2066405;DTXSID00415938;AMY25698;AKOS015913050;2-Amino-3-methoxy-1-phenyl-1-propanol #;(1s,2s)-2-amino-3-methoxy-1-phenyl-1-propanol;(1S,2S)-3-Methoxy-2-amino-1-phenyl-1-propanol;(1S,2S)-(+)-2-Amino-3-methoxy-1-phenyl-1-propanol, 98%;InChI=1/C10H15NO2/c1-13-7-9(11)10(12)8-5-3-2-4-6-8/h2-6,9-10,12H,7,11H2,1H3/t9-,10-/m0/s

Chemical Property of (1S,2S)-(+)-2-Amino-3-methoxy-1-phenyl-1-propanol

Chemical Property:

• Vapor Pressure: 9.34E-05mmHg at 25°C
• Melting Point: 51-53 °C(lit.)
• Refractive Index: 1.545
• Boiling Point: 325.5°Cat760mmHg
• Flash Point: 150.7°C
• PSA: 55.48000
• Density: 1.105g/cm³
• LogP: 1.39400
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 135

Purity/Quality:

98%,99%, ^*data from raw suppliers

(1S,2S)-(+)-2-Amino-3-methoxy-1-phenyl-1-propanol 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(C(C1=CC=CC=C1)O)N
• Isomeric SMILES: COC[C@@H]([C@H](C1=CC=CC=C1)O)N

Technology Process of (1S,2S)-(+)-2-Amino-3-methoxy-1-phenyl-1-propanol

There total 15 articles about (1S,2S)-(+)-2-Amino-3-methoxy-1-phenyl-1-propanol 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:

(1S,2S)-2-amino-1-phenyl-1,3-diol (28143-91-1) → (1S,2S)-2-amino-3-methoxy-1-phenyl-1-propanol (51594-34-4)

Guidance literature:

Multi-step reaction with 3 steps

1: CH₂Cl₂ / 6 h / 0 °C

2: (i) NaH, THF, (ii) /BRN= 969135/

3: aq. HCl / Heating

With hydrogenchloride; In dichloromethane;

DOI:10.1021/ja00418a041

Reference yield:

(4S,5S)-(-)-4,5-dihydro-4-methoxymethyl-2-methyl-5-phenyloxazole (52075-14-6) → (1S,2S)-2-amino-3-methoxy-1-phenyl-1-propanol (51594-34-4)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/ja00418a041

Reference yield:

(4S,5S)-4-Hydroxymethyl-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole (53732-41-5) → (1S,2S)-2-amino-3-methoxy-1-phenyl-1-propanol (51594-34-4)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaH, THF, (ii) /BRN= 969135/

2: aq. HCl / Heating

With hydrogenchloride;

DOI:10.1021/ja00418a041

upstream raw materials:

(4S,5S)-(-)-4,5-dihydro-4-methoxymethyl-2-methyl-5-phenyloxazole

(4S,5S)-4-Methoxymethyl-2-(1-methyl-3-trimethylsilanyloxy-propyl)-5-phenyl-4,5-dihydro-oxazole

(4S,5S)-2-(1-Ethyl-3-trimethylsilanyloxy-propyl)-4-methoxymethyl-5-phenyl-4,5-dihydro-oxazole

(4S,5S)-4-Methoxymethyl-5-phenyl-2-[1-(2-trimethylsilanyloxy-ethyl)-butyl]-4,5-dihydro-oxazole

Downstream raw materials:

(1S,2S)-3-Methoxy-2-morpholin-4-yl-1-phenyl-propan-1-ol

(4S,5S)-2-phenyl-4-methoxymethyl-5-phenyl-2-oxazoline

(4S,5S)-(-)-2-chloromethyl-4-methoxymethyl-5-phenyl-2-oxazoline

(Ξ)-1-((4S)-4r-methoxymethyl-5t-phenyl-4,5-dihydro-oxazol-2-yl)-propan-2-ol