3-(Benzylamino)-2-methylpropan-1-ol

Base Information

• Chemical Name: 3-(Benzylamino)-2-methylpropan-1-ol
• CAS No.: 858834-71-6
• Molecular Formula: C11H17NO
• Molecular Weight: 179.26
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID20593343
• Nikkaji Number: J1.896.412K
• Mol file: 858834-71-6.mol

Synonyms:3-(benzylamino)-2-methylpropan-1-ol;858834-71-6;3-(BENZYLAMINO)-2-METHYL-1-PROPANOL;CHEMBRDG-BB 9070552;SCHEMBL6990134;DTXSID20593343;MFCD08691880;AKOS006238564;SB84611;LS-05974;DB-314643;CS-0326246

Chemical Property of 3-(Benzylamino)-2-methylpropan-1-ol

Chemical Property:

• Vapor Pressure: 0.000564mmHg at 25°C
• Boiling Point: 298.5°C at 760 mmHg
• PKA: 14.86±0.10(Predicted)
• Flash Point: 107.3°C
• PSA: 32.26000
• Density: 1.004g/cm³
• LogP: 1.79550
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 121

Purity/Quality:

98%Min ^*data from raw suppliers

3-(Benzylamino)-2-methylpropan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CNCC1=CC=CC=C1)CO

Technology Process of 3-(Benzylamino)-2-methylpropan-1-ol

There total 3 articles about 3-(Benzylamino)-2-methylpropan-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:

benzylamine (100-46-9) → 3-(benzylamino)-2-methylpropan-1-ol (858834-71-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: bismuth(III) nitrate / 0.25 h / 0 °C

1.2: 10 h / 0 - 20 °C

2.1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / -30 - 20 °C / Inert atmosphere

With bismuth(III) nitrate; lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1016/j.tetasy.2016.02.008

Reference yield:

2-methylpropenal (78-85-3,25120-30-3) + benzylamine (100-46-9) → 3-(benzylamino)-2-methylpropan-1-ol (858834-71-6)

Guidance literature:

2-methylpropenal; benzylamine; In tetrahydrofuran; for 3h; Molecular sieve; Inert atmosphere;

With bispinacolatoboronic acid; triphenylphosphine; copper(l) chloride; sodium t-butanolate; In tetrahydrofuran; for 0.5h; Further stages;

DOI:10.1039/c2cc36129a

Reference yield:

3-benzylamino-2-methyl-acrylic acid ethyl ester → 3-(benzylamino)-2-methylpropan-1-ol (858834-71-6)

Guidance literature:

With ethanol; sodium;

upstream raw materials:

2-methylpropenal

benzylamine