N-Methylisoamylamine

Base Information

• Chemical Name: N-Methylisoamylamine
• CAS No.: 4104-44-3
• Molecular Formula: C6H15N
• Molecular Weight: 101.192
• Hs Code.: 2921199090
• European Community (EC) Number: 803-807-3
• DSSTox Substance ID: DTXSID00334534
• Nikkaji Number: J99.876A
• Wikidata: Q82100371
• Mol file: 4104-44-3.mol

Synonyms:N,3-dimethylbutan-1-amine;N-Methylisoamylamine;4104-44-3;methyl(3-methylbutyl)amine;1-Butanamine, N,3-dimethyl-;Butylamine, N,3-dimethyl-;N-Isoamyl-N-methylamine;Methylisoamylamin;methyl isoamylamine;Isoamyl methylamine;N-Methylisopentylamine;Methyl isopentyl amine;methyl (3-methylbutyl)amine;N,3-Dimethyl-1-butanamine;N,3-dimethyl butan-1-amine;SCHEMBL388479;N,3-Dimethyl-1-butanamine #;methyl-(3-methyl-butyl)-amine;N-Methyl-3-methyl-1-butanamine;N-Methylisoamylamine, AldrichCPR;DTXSID00334534;AMY37370;MFCD00048364;AKOS000128885;CS-W018343;BS-12695;FT-0635129;EN300-33325;AB01002659-01;A825410

Chemical Property of N-Methylisoamylamine

Chemical Property:

• Vapor Pressure: 32.9mmHg at 25°C
• Boiling Point: 110oC/112
• Flash Point: 219.2oC
• PSA: 12.03000
• Density: 0.912 g/cm3
• LogP: 1.64280
• Storage Temp.: Keep Cold
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 101.120449483
• Heavy Atom Count: 7
• Complexity: 33.2

Purity/Quality:

98% ^*data from raw suppliers

N-Methylisoamylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 22-37/38-41-52
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCNC

Technology Process of N-Methylisoamylamine

There total 9 articles about N-Methylisoamylamine 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:

N-isopentyl-formamide (10285-87-7) → 1-amino-3-methylbutane (107-85-7) + N-methylisoamylamine (4104-44-3)

Guidance literature:

at 200 - 210 ℃; Hydrogenation;

Reference yield:

1,3,5-Trioxan (110-88-3) + dimethyl amine (124-40-3) + isobutene (115-11-7,15220-85-6) → N-methylisoamylamine (4104-44-3) + N,N-dimethyl-3-methylbutylamine (2315-43-7) + N-(3-methyl-3-butenyl)-N,N-dimethylamine (17945-72-1)

Guidance literature:

With sulfuric acid; In water; acetic acid; at 100 ℃; for 17h; Title compound not separated from byproducts;

DOI:10.1021/jo00172a018

Reference yield:

N-isopentyl-formamide (10285-87-7) → N-methylisoamylamine (4104-44-3)

Guidance literature:

With nickel; at 200 - 210 ℃; Hydrogenation;

upstream raw materials:

N-methylleucine

N-isopentyl-formamide

methylamine

isovaleraldehyde

Downstream raw materials:

3-(2,4-Dimethyl-phenyl)-1-methyl-1-(3-methyl-butyl)-thiourea

3-(4-Chloro-2-methyl-phenyl)-1-methyl-1-(3-methyl-butyl)-thiourea

3-(4-Fluoro-2-methyl-phenyl)-1-methyl-1-(3-methyl-butyl)-thiourea

3-[1-(3-Chloro-phenyl)-1-methyl-ethyl]-1-methyl-1-(3-methyl-butyl)-urea

Refernces

• 1、 SUYAMA,KANAO. "DECARBOXYLATION OF AMINO ACIDS. II. 3-METHYLTHIOPROPYLAMINE AND". . p. 1012 - 1014. Retrieved 2007/10/05.