4-Chloro-3,3-dimethylbutanenitrile

Base Information

• Chemical Name: 4-Chloro-3,3-dimethylbutanenitrile
• CAS No.: 116673-94-0
• Molecular Formula: C₆H₁₀ClN
• Molecular Weight: 131.605
• Hs Code.: 2926907090
• Mol file: 116673-94-0.mol

Synonyms:4-chloro-3,3-dimethylbutyronitrile

Chemical Property of 4-Chloro-3,3-dimethylbutanenitrile

Chemical Property:

Purity/Quality:

95%+ ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Chloro-3,3-dimethylbutanenitrile

There total 4 articles about 4-Chloro-3,3-dimethylbutanenitrile 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: 77.0%

3,3-dimethyl-4-hydroxy butyronitrile (103804-80-4) → 4-chloro-3,3-dimethylbutyronitrile (116673-94-0)

Guidance literature:

With pyridine; thionyl chloride; at 0 ℃;

DOI:10.1016/j.ejmech.2011.01.002

Reference yield:

2,2-Dimethyl-3-chlor-propanol-1-ol → 4-chloro-3,3-dimethylbutyronitrile (116673-94-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 21 percent / dimethylsulfoxide / 6 h / 150 - 160 °C

2: 71 percent / SOCl₂, pyridine / 0.17 h / Heating

With pyridine; thionyl chloride; In dimethyl sulfoxide;

DOI:10.1002/ardp.19883210310

Reference yield:

5.5-dimethyl-1,3,2-dioxathiane-2-oxide (1003-85-6) → 4-chloro-3,3-dimethylbutyronitrile (116673-94-0)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethyl sulfoxide / 36 h / 100 °C

2: pyridine; thionyl chloride / 0 °C

With pyridine; thionyl chloride; In dimethyl sulfoxide;

DOI:10.1016/j.ejmech.2011.01.002

upstream raw materials:

3,3-dimethyl-4-hydroxy butyronitrile

5.5-dimethyl-1,3,2-dioxathiane-2-oxide

2,2-Dimethyl-1,3-propanediol

Downstream raw materials:

5-benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole

2,2-Dimethyl-5,7-diphenyl-2,3-dihydro-1H-pyrrolizin

2,2-Dimethyl-6,7-diphenyl-2,3-dihydro-1H-pyrrolizin

(2,2-Dimethyl-5,7-diphenyl-2,3-dihydro-1H-pyrrolizin-6-yl)-essigsaeureethylester

Refernces

• 1、 Dannhardt,Lehr. "Anti-inflammatory 2,3-dihydro-1H-pyrrolizine. 13. Isomeric (diaryl-dihydropyrrolizinyl)acetic acids and 2-(diaryldihydropyrrolizinyl)-ethanols". . p. 159 - 162. Retrieved 2007/10/02.