(S)-3-(dimethylamino)-3-phenylpropan-1-ol

Base Information

• Chemical Name: (S)-3-(dimethylamino)-3-phenylpropan-1-ol
• CAS No.: 82769-75-3
• Molecular Formula: C11H17NO
• Molecular Weight: 179.262
• Hs Code.: 29062990
• European Community (EC) Number: 888-394-8
• DSSTox Substance ID: DTXSID20501185
• Nikkaji Number: J51.843C
• Wikidata: Q72469163
• Mol file: 82769-75-3.mol

Synonyms:82769-75-3;(S)-3-(dimethylamino)-3-phenylpropan-1-ol;(S)-3-DIMETHYLAMINO-3-PHENYLPROPANOL;(3S)-3-(Dimethylamino)-3-phenylpropan-1-ol;(S)-3-(dimethyl amino)-3-phenylpropan-1-ol;SCHEMBL9995387;DTXSID20501185;FD1319;AKOS005146102;AC-23826;DS-13482;CS-0186177

Chemical Property of (S)-3-(dimethylamino)-3-phenylpropan-1-ol

Chemical Property:

• Refractive Index: 1.532
• Boiling Point: 281.5 °C at 760 mmHg
• PKA: 14.90±0.10(Predicted)
• Flash Point: 98.5 °C
• PSA: 23.47000
• Density: 1.011 g/cm³
• LogP: 1.67170
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

99.9% ^*data from raw suppliers

(S)-3-(Dimethylamino)-3-phenylpropan-1-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(CCO)C1=CC=CC=C1
• Isomeric SMILES: CN(C)[C@@H](CCO)C1=CC=CC=C1
• Uses: (+)-(S)-3-[N,N-Dimethylamino)-3-phenylpropanol used in the preparation of 5-hydroxytryptamine reuptake inhibitors.

Technology Process of (S)-3-(dimethylamino)-3-phenylpropan-1-ol

There total 18 articles about (S)-3-(dimethylamino)-3-phenylpropan-1-ol 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: 99.6%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + formic acid (64-18-6) + C9H12BNO2 → (S)-(+)-3-(dimethylamino)-3-phenyl-1-propanol (82769-75-3)

Guidance literature:

In water; for 6h; Reflux;

Reference yield: 96.0%

(S)-(-)-3-methyl-4-phenyltetrahydro-1,3-oxazine (82769-77-5) → (S)-(+)-3-(dimethylamino)-3-phenyl-1-propanol (82769-75-3)

Guidance literature:

With lithium aluminium tetrahydride; aluminium trichloride; In diethyl ether; at 0 ℃;

DOI:10.1021/jo00141a046

Reference yield: 93.02%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (S)-3-amino-3-phenylpropanol (82769-76-4) → (S)-(+)-3-(dimethylamino)-3-phenyl-1-propanol (82769-75-3)

Guidance literature:

With formic acid; for 8h; Concentration; Reflux; Large scale;

upstream raw materials:

(S)-(-)-3-methyl-4-phenyltetrahydro-1,3-oxazine

3-(dimethylamino)-2-<(4-methylphenyl)thio>-3-phenyl-1-propanol

formaldehyd

(S)-3-amino-3-phenylpropanol

Downstream raw materials:

dapoxetine

Dapoxetine hydrochloride

3-(dimethylamino)-3-phenylpropan-1-ol