(R)-3-aminobutan-1-ol

Base Information

• Chemical Name: (R)-3-aminobutan-1-ol
• CAS No.: 61477-40-5
• Molecular Formula: C4H11NO
• Molecular Weight: 89.1374
• Hs Code.: 2922199090
• European Community (EC) Number: 640-387-9
• DSSTox Substance ID: DTXSID30432476
• Nikkaji Number: J2.782.005K
• Wikidata: Q72439074
• Mol file: 61477-40-5.mol

Synonyms:(R)-3-aminobutan-1-ol;61477-40-5;(3R)-3-aminobutan-1-ol;(R)-3-AMINO-1-BUTANOL;(3R)-3-Amino-1-butanol;(R)-3-amino-butan-1-ol;1-Butanol, 3-amino-, (R)-;R-3-amino-1-butanol;(R,S)-3-Amino-butan-1-ol;DTXSID30432476;AGMZSYQMSHMXLT-SCSAIBSYSA-N;BCP01279;AM9719;MFCD13184351;AKOS015854097;CS-W013746;GS-3850;A15693;EC 640-387-9;EN300-148710;W-204235

Chemical Property of (R)-3-aminobutan-1-ol

Chemical Property:

• Refractive Index: 1.4530 to 1.4570
• Boiling Point: 168.349 °C at 760 mmHg
• PKA: 15.00±0.10(Predicted)
• Flash Point: 55.616 °C
• PSA: 46.25000
• Density: 0.927 g/cm³
• LogP: 0.41630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 89.084063974
• Heavy Atom Count: 6
• Complexity: 30.7

Purity/Quality:

99% ^*data from raw suppliers

(R)-3-Aminobutan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCO)N
• Isomeric SMILES: C[C@H](CCO)N
• Description: (R)-3-AMINO-1-BUTANOL is an alcohol organic compound, which is a key intermediate for many chiral drugs.

Technology Process of (R)-3-aminobutan-1-ol

There total 24 articles about (R)-3-aminobutan-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: 97.5%

(R)-3-acetamidobutanol → (R)-3-amino-1-butanol (61477-40-5)

Guidance literature:

In ethanol; at 70 - 80 ℃; Alkaline conditions;

Reference yield: 96.0%

(-)-(3R)-3-((benzyloxycarbonyl)amino)butanol (866395-21-3) → (R)-3-amino-1-butanol (61477-40-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 50 - 60 ℃; under 3000.3 - 4500.45 Torr;

Reference yield: 95.8%

(-)-tert-butyl [(R)-3-hydroxy-1-methylpropyl]carbamate (167216-17-3,146514-31-0) → (R)-3-amino-1-butanol (61477-40-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 10 ℃;

upstream raw materials:

(3R)-3-methyl-3-[((1S)-1-phenylethyl)amino]propan-1-ol

3-aminobutanoic acid ethyl ester

methyl 3-((methoxycarbonyl)amino)-3-methylpropanoate

1-(tert-butyldimethylsilyloxy)-3-aminobutane

Downstream raw materials:

(4R,12aS)-7-(benzyloxy)-4-methyl-3,4,12,12a-tetrahydro-2H-pyrido[1′,2’:4,5] pyrazino[2,1-b][1,3]oxazine-6,8-dione

(R)-3-(phenylmethylsulfonamido)butyl phenylmethanesulfonate

(4R,12aS)-N-(2,4-difluorobenzyl)-7-methyloxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1',2',:4,5]pyrazino[2,1-b] [1,3]oxazine-9-carboxamide

(4R,12aS)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8, 12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid

Refernces

• 1、 Li, Fulong,Liang, Youxiang,Wei, Yuwen,Zheng, Yukun,Du, Yan,Yu, Huimin. "Biochemical and Structural Characterization of an (R)-Selective Transaminase in the Asymmetric Synthesis of Chiral Hydroxy Amines". supporting information. p. 4582 - 4589. Retrieved 2021/08/07.
• 2、 -. "Refining process of R-3-amino n-butyl alcohol". Paragraph 0018-0021; 0041-0042; 0053-0060. . Retrieved 2021/04/07.