5-Hexen-1-amine, 2,2-dimethyl-

Base Information

• Chemical Name: 5-Hexen-1-amine, 2,2-dimethyl-
• CAS No.: 141511-50-4
• Molecular Formula: C8H17N
• Molecular Weight: 127.23
• DSSTox Substance ID: DTXSID50473962
• Nikkaji Number: J1.677.307G
• Wikidata: Q82303673
• Mol file: 141511-50-4.mol

Synonyms:5-Hexen-1-amine, 2,2-dimethyl-;2,2-dimethylhex-5-en-1-amine;141511-50-4;SCHEMBL20362645;PPLTYXVBNYYDSB-UHFFFAOYSA-;DTXSID50473962;AKOS006342716;EN300-322757;InChI=1/C8H17N/c1-4-5-6-8(2,3)7-9/h4H,1,5-7,9H2,2-3H3

Chemical Property of 5-Hexen-1-amine, 2,2-dimethyl-

Chemical Property:

• PSA: 26.02000
• LogP: 2.63780
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 84.6

Purity/Quality:

99% ^*data from raw suppliers

2,2-dimethylhex-5-en-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCC=C)CN

Technology Process of 5-Hexen-1-amine, 2,2-dimethyl-

There total 4 articles about 5-Hexen-1-amine, 2,2-dimethyl- 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: 86.0%

2,2-dimethyl-5-hexenenitrile (84173-95-5) → 2,2-dimethyl-1-amino-5-hexene (141511-50-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Heating;

DOI:10.1021/ol050294z

Reference yield: 72.0%

1-bromo-4-butene (5162-44-7) + Isobutyronitrile (78-82-0) → 2,2-dimethyl-1-amino-5-hexene (141511-50-4)

Guidance literature:

1-bromo-4-butene; Isobutyronitrile; for 24h; Heating;

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 24h; Further stages.;

DOI:10.1039/b401493f

Reference yield:

6-bromo-2,2-dimethylhexanenitrile (53545-96-3) → 2,2-dimethyl-1-amino-5-hexene (141511-50-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butoxide / tetrahydrofuran / 4 h / 20 °C

2: 7.66 g / LiAlH₄ / diethyl ether / 3 h / Heating

With lithium aluminium tetrahydride; potassium tert-butylate; In tetrahydrofuran; diethyl ether;

DOI:10.1021/ja058287t

upstream raw materials:

2,2-dimethyl-5-hexenenitrile

1-bromo-4-butene

Isobutyronitrile

6-bromo-2,2-dimethylhexanenitrile

Downstream raw materials:

dibenzyl (2,2-dimethylhex-4-en-1-yl)aminomethylylidenebiscarbamate

3,3,6-trimethyl-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydropyridine

1-[(4-methoxyphenyl)sulfonyl]-4,4-dimethyl-2-vinylpyrrolidine

N-(4-methoxyphenyl)sulfonyl-3,3,6-trimethyl-1,2,3,6-tetrahydropyridine