3-Methyl-2-phenylbutan-1-amine

Base Information

• Chemical Name: 3-Methyl-2-phenylbutan-1-amine
• CAS No.: 196106-01-1
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• Hs Code.: 2921499090
• European Community (EC) Number: 886-580-3
• Nikkaji Number: J486.551K
• ChEMBL ID: CHEMBL476107
• Mol file: 196106-01-1.mol

Synonyms:3-methyl-2-phenylbutan-1-amine;196106-01-1;3-Methyl-2-phenylbutylamine;CHEMBL476107;2-Phenyl-3-methylbutylamin;2-phenyl-3-methylbutylamine;3-methyl-2-phenyl-butylamine;SCHEMBL247628;(S)-|A-Isopropylphenethylamine;2-Phenyl-3-methyl-1-butanamine;VDMAQVANUGNDOM-UHFFFAOYSA-N;BDBM50262889;AKOS009270403;FT-0670539;EN300-37373;Z366424654

Chemical Property of 3-Methyl-2-phenylbutan-1-amine

Chemical Property:

• PSA: 26.02000
• LogP: 3.08520
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 114

Purity/Quality:

3-METHYL-2-PHENYLBUTAN-1-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-2-phenylbutan-1-amine

There total 14 articles about 3-Methyl-2-phenylbutan-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: 75.0%

(R)-3-Methyl-2-phenylbutylazid (74669-75-3) → (R)-3-methyl-2-phenylbutan-1-amine (196106-01-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

Reference yield: 74.0%

phenylacetonitrile (140-29-4) → (+)-3-methyl-2-phenylbutylamine (196106-01-1) + phenethylamine (64-04-0) + diphenethylamine (6308-98-1)

Guidance literature:

With sodium tetrahydroborate; hydrogen; nickel dichloride; In isopropyl alcohol; at 70 ℃; for 16h; under 760.051 Torr;

DOI:10.1134/S1070363216020110

Reference yield:

3-methyl-2-phenyl-butyronitrile (5558-29-2) → (+)-3-methyl-2-phenylbutylamine (196106-01-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 50 ℃; for 16h;

DOI:10.1016/j.bmc.2008.06.009

upstream raw materials:

(R)-3-Methyl-2-phenylbutylazid

(S)-trans-4-phenyl-3-buten-2-ol

(S)-(E)-4-Phenyl-5-methyl-2-hexene

(2R)-3-methyl-2-phenylbutan-1-ol

Downstream raw materials:

1,2-dimethyl-1-phenyl-1-propanol

(-)(S)-3-Methyl-1-phenyl-2-butanol

4-phenyl-2-methyl-2-butanol

3-Methyl-1-phenyl-1-butanol