(S)-(+)-1-Dimethylamino-2-propanol

Base Information

• Chemical Name: (S)-(+)-1-Dimethylamino-2-propanol
• CAS No.: 53636-17-2
• Molecular Formula: C5H13NO
• Molecular Weight: 103.164
• Hs Code.: 2922190090
• European Community (EC) Number: 623-571-3
• UNII: Y46IE54IB6
• DSSTox Substance ID: DTXSID5046562
• Nikkaji Number: J76.961D
• Wikidata: Q72469183
• ChEMBL ID: CHEMBL3186803
• Mol file: 53636-17-2.mol

Synonyms:53636-17-2;(S)-(+)-1-Dimethylamino-2-propanol;(S)-1-(dimethylamino)propan-2-ol;(2S)-1-(dimethylamino)propan-2-ol;(S)-1-dimethylamino-2-propanol;(S)-Dimepranol;Dimepranol, (S)-;Y46IE54IB6;DTXSID5046562;(S)(+)-L-Dimethylamino-2-propanol;MFCD00065950;(2S)-1-(Dimethylamino)-2-propanol;L-(+)-1-(Dimethylamino)propan-2-ol;NCGC00166221-01;2-Propanol, 1-(dimethylamino)-, (S)-;2-Propanol, 1-(dimethylamino)-, (2S)-;UNII-Y46IE54IB6;SCHEMBL907639;CHEMBL3186803;DTXCID3026562;NCXUNZWLEYGQAH-YFKPBYRVSA-N;(S)-1-Dimethylamino-propan-2-ol;(S)-1-(Dimethylamino)-2-propanol;Tox21_112356;AKOS006237658;NCGC00166221-02;AS-76513;CAS-53636-17-2;A26927

Chemical Property of (S)-(+)-1-Dimethylamino-2-propanol

Chemical Property:

• Melting Point: 29.84°C (estimate)
• Refractive Index: n20/D 1.419(lit.)
• Boiling Point: 124 °C at 760 mmHg
• PKA: 14.95±0.20(Predicted)
• Flash Point: 25.6 °C
• PSA: 23.47000
• Density: 0.887 g/cm³
• LogP: -0.07120
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 103.099714038
• Heavy Atom Count: 7
• Complexity: 45.3

Purity/Quality:

97% ^*data from raw suppliers

(S)-(+)-1-Dimethylamino-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN(C)C)O
• Isomeric SMILES: C[C@@H](CN(C)C)O

Technology Process of (S)-(+)-1-Dimethylamino-2-propanol

There total 17 articles about (S)-(+)-1-Dimethylamino-2-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: 79.0%

→ (S)-1-dimethylamino-2-propanol (53636-17-2,53657-16-2)

Guidance literature:

Reference yield: 64.0%

Racemic 1-dimethylamino-2-propanol + vinyl propionate (105-38-4) → (S)-1-dimethylamino-2-propanol (53636-17-2,53657-16-2)

Guidance literature:

In methanol;

Reference yield: 64.0%

1-methyl-2-N,N-dimethylaminoethanol (108-16-7,53657-16-2) + vinyl propionate (105-38-4) → (S)-1-dimethylamino-2-propanol (53636-17-2,53657-16-2) + (-)-1-dimethylamino-2-propyl acetate (537693-68-8)

Guidance literature:

With Novozyme(R) 435; at 40 ℃; for 75h; Enzymatic reaction;

DOI:10.1016/S0957-4166(03)00019-3

upstream raw materials:

1-methyl-2-N,N-dimethylaminoethanol

(S)-N,N-dimethyl lactamide

(S)-Ethyl lactate

dimethyl amine

Downstream raw materials:

(S)-4-dimethylamino-3-methyl-2.2-diphenyl-butyronitrile