4-Amino-2-methyl-1-butanol

Base Information

• Chemical Name: 4-Amino-2-methyl-1-butanol
• CAS No.: 44565-27-7
• Molecular Formula: C₅H₁₃NO
• Molecular Weight: 103.164
• Hs Code.: 2922199090
• European Community (EC) Number: 677-079-9
• DSSTox Substance ID: DTXSID20435911
• Nikkaji Number: J1.644.522C
• Mol file: 44565-27-7.mol

Synonyms:4-Amino-2-methyl-1-butanol;44565-27-7;4-amino-2-methylbutan-1-ol;4-amino-2-methylbutanol;4-amino-2-methyl-butan-1-ol;2-methyl-4-aminobutanol;SCHEMBL1006329;4-amino-2(R,S)-methylbutanol;DTXSID20435911;DUAXLVGFFDFSAG-UHFFFAOYSA-N;MFCD03093615;AKOS006221874;SB44749;4-Amino-2-methyl-1-butanol, AldrichCPR;AC-31753;AS-40763;CS-0154050;EN300-817842

Chemical Property of 4-Amino-2-methyl-1-butanol

Chemical Property:

• Vapor Pressure: 0.369mmHg at 25°C
• Melting Point: 106.3-108.5 °C
• Refractive Index: 1.45
• Boiling Point: 174.682°C at 760 mmHg
• PKA: 14.96±0.10(Predicted)
• Flash Point: 59.446°C
• PSA: 46.25000
• Density: 0,94 g/cm3
• LogP: 0.66390
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 103.099714038
• Heavy Atom Count: 7
• Complexity: 39.1

Purity/Quality:

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

4-Amino-2-methyl-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-41-37/38-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

Useful:

• Canonical SMILES: CC(CCN)CO

Technology Process of 4-Amino-2-methyl-1-butanol

There total 13 articles about 4-Amino-2-methyl-1-butanol 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: 74.0%

→ 4-amino-2-methyl-1-butanol (44565-27-7,44565-28-8,64070-19-5,88390-32-3)

Guidance literature:

Reference yield:

4-Amino-2-methylbutyric acid (42453-21-4) → 4-amino-2-methyl-1-butanol (44565-27-7,44565-28-8,64070-19-5,88390-32-3)

Guidance literature:

With tetrahydrofuran; lithium aluminium tetrahydride;

DOI:10.1021/ja01530a063

Reference yield:

4-(Tetrahydro[2H]pyran-2-yloxy)-3-methyl-2-butenenitrile (13931-35-6) → 4-amino-2-methyl-1-butanol (44565-27-7,44565-28-8,64070-19-5,88390-32-3)

Guidance literature:

Multistep reaction; (i) LiAlH₄, (ii) aq. HCl;

DOI:10.1071/CH9690205

upstream raw materials:

carbon monoxide

but-3-enenitrile

(S)-4-hydroxy-3-methyl-butyronitrile

(R)-2MeGABA

Downstream raw materials:

4-Amino-2-methyl-butylhydrogensulfat

(R)-4-amino-2-methyl-1-butanol tetrahydropyranyl ether

2-methyl-4-(2-nitrobenzylamino)butanol

C₇H₁₃NO₃

Refernces

• 1、 Letham,D.S. et al.. "-". . p. 205 - 219. Retrieved 1969.
• 2、 Nunnery, Joshawna K.,Engene, Niclas,Byrum, Tara,Cao, Zhengyu,Jabba, Sairam V.,Pereira, Alban R.,Matainaho, Teatulohi,Murray, Thomas F.,Gerwick, William H.. "Biosynthetically intriguing chlorinated lipophilic metabolites from geographically distant tropical marine cyanobacteria". experimental part. p. 4198 - 4208. Retrieved 2012/06/18.