n-Benzyl-2-methylpropan-1-amine

Base Information

• Chemical Name: n-Benzyl-2-methylpropan-1-amine
• CAS No.: 42882-36-0
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• Hs Code.: 2921499090
• European Community (EC) Number: 877-406-7
• DSSTox Substance ID: DTXSID60276885
• Nikkaji Number: J1.626.554C
• Wikidata: Q82007643
• Mol file: 42882-36-0.mol

Synonyms:n-benzyl-2-methylpropan-1-amine;42882-36-0;N-Benzyl-2-methyl-1-propanamine;benzylisobutylamine;benzyl(2-methylpropyl)amine;CHEMBRDG-BB 4014220;N-benzyl-2-methyl-propan-1-amine;(2-Methylpropyl)(phenylmethyl)amine;N-benzylisobutylamine;benzyl-isobutyl-amine;SCHEMBL2018449;DTXSID60276885;BCP18002;BBL022517;MFCD00972061;STL231897;AKOS000226313;SB76434;AS-39450;CS-0116902;EN300-32577;Z57327326

Chemical Property of n-Benzyl-2-methylpropan-1-amine

Chemical Property:

• Vapor Pressure: 0.0826mmHg at 25°C
• Boiling Point: 226.3oC at 760 mmHg
• PKA: 9.77±0.29(Predicted)
• Flash Point: 87.1oC
• PSA: 12.03000
• Density: 0.902g/cm3
• LogP: 2.82310
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

98% ^*data from raw suppliers

N-benzyl-2-methylpropan-1-aminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of n-Benzyl-2-methylpropan-1-amine

There total 28 articles about n-Benzyl-2-methylpropan-1-amine 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: 92.0%

E-2-methylpropanal N-benzylimine (22483-21-2) → benzyl(2-methylpropyl)amine (42882-36-0)

Guidance literature:

With titanocene dichloride; butyl magnesium bromide; In diethyl ether; at 25 ℃; for 15h;

DOI:10.1016/S0040-4039(97)01797-8

Reference yield: 89.0%

isobutylamine (78-81-9) + benzyl alcohol (100-51-6,185532-71-2) → benzyl(2-methylpropyl)amine (42882-36-0)

Guidance literature:

isobutylamine; benzyl alcohol; With manganese(IV) oxide; sodium tetrahydroborate; In dichloromethane; for 18h; Heating;

With methanol; at 0 - 20 ℃; for 0.666667h;

DOI:10.1016/S0040-4039(02)01722-7

Reference yield: 87.0%

isobutylamine (78-81-9) + benzaldehyde (100-52-7) → benzyl(2-methylpropyl)amine (42882-36-0)

Guidance literature:

With 4 A molecular sieve; borane pyridine complex; In methanol; for 16h;

DOI:10.1021/jo00123a049

upstream raw materials:

benzylideneisobutylamine

N-(1-Benzotriazol-1-yl-2-methyl-propyl)-benzamide

isobutylamine

benzaldehyde

Downstream raw materials:

2-(benzyl-isobutyl-amino)-ethanol

N-methyl-N-benzylisobutylamine

N-Benzyl-N-isobutyl-aethylendiamin

(S)-[3-Methyl-1-[[(2-methylpropyl)(phenylmethyl)amino]acetyl]butyl]carbamic acid, 1,1dimethylethyl ester, 4-methylbenzenesulfonic acid salt