3-Amino-3-methylbutan-1-ol

Base Information

• Chemical Name: 3-Amino-3-methylbutan-1-ol
• CAS No.: 42514-50-1
• Molecular Formula: C5H13NO
• Molecular Weight: 103.164
• Hs Code.: 2922199090
• European Community (EC) Number: 255-865-9
• UNII: 38T2YU9LPH
• DSSTox Substance ID: DTXSID60195300
• Nikkaji Number: J309.937G
• Wikidata: Q72439274
• Mol file: 42514-50-1.mol

Synonyms:3-amino-3-methylbutan-1-ol;42514-50-1;3-Amino-3-methyl-butan-1-ol;3-Amino-3-methyl-1-butanol;3-amino-3-methylbutanol;1-butanol, 3-amino-3-methyl-;EINECS 255-865-9;38T2YU9LPH;MFCD09032902;UNII-38T2YU9LPH;3-amino-3-methylbutan-1ol;3-methyl-3-amino-1-butanol;SCHEMBL108849;3-Amino-3-methyl-butan-I-ol;AMY117;DTXSID60195300;BCP10686;AKOS000265671;CS-W004889;BS-12762;SY025601;FT-0703391;EN300-91244;F13529;A872869;3-Amino-3-methylbutan-1-ol;Z1198183553

Chemical Property of 3-Amino-3-methylbutan-1-ol

Chemical Property:

• Vapor Pressure: 0.285mmHg at 25°C
• Boiling Point: 179.2°Cat760mmHg
• PKA: 15.42±0.10(Predicted)
• Flash Point: 62.1°C
• PSA: 46.25000
• Density: 0.918g/cm³
• LogP: 0.80640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 103.099714038
• Heavy Atom Count: 7
• Complexity: 52

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-3-methylbutan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCO)N

Technology Process of 3-Amino-3-methylbutan-1-ol

There total 17 articles about 3-Amino-3-methylbutan-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: 99.8%

3-amino-3-methylbutanoic acid (625-05-8) → 1-hydroxy-3-methylbut-3-ylamine (42514-50-1)

Guidance literature:

3-amino-3-methylbutanoic acid; With boron trifluoride diethyl etherate; In tetrahydrofuran; for 3.5h; Reflux; Inert atmosphere;

With dimethylsulfide borane complex; In methylthiol; for 6h; Reflux; Inert atmosphere;

With sodium hydroxide; In tetrahydrofuran; water; for 15h; Inert atmosphere; Reflux;

DOI:10.1021/jm701625v

Reference yield: 97.0%

3-Benzylamino-3-methyl-butan-1-ol (17945-55-0) → 1-hydroxy-3-methylbut-3-ylamine (42514-50-1)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 6h; under 3677.86 Torr;

Reference yield: 96.0%

2,4,4-trimethyl-5,6-dihydro-1,3(4H)-oxazine (26939-09-3) → 1-hydroxy-3-methylbut-3-ylamine (42514-50-1)

Guidance literature:

With sodium hydroxide; at 80 ℃; for 18h;

DOI:10.1002/jlcr.456

upstream raw materials:

1,3-dichloro-3-methylbutane

4,4-dimethyl-2-vinyl-4H-5,6-dihydro-1,3-oxazine

3-amino-3-methylbutanoic acid

(3-Isocyano-3-methyl-butoxy)-trimethyl-silane

Downstream raw materials:

tert-butyl (3-hydroxy-1,1-dimethyl-propyl)-carbamate

3-[2-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-hydroxy-ethylamino]-3-methyl-butan-1-ol

C₁₉H₂₃NO₃

3-methyl-3-(4-methylphenylsulfonamido)butyl 4-methylbenzenesulfonate