(1S)-4-Methylcyclohex-3-ene-1-carbonyl chloride

Base Information Edit

Chemical Name:(1S)-4-Methylcyclohex-3-ene-1-carbonyl chloride
CAS No.:170080-85-0
Molecular Formula:C8H11 Cl O
Molecular Weight:158.628
Hs Code.:
DSSTox Substance ID:DTXSID00513766
Wikidata:Q82373725
Mol file:170080-85-0.mol

Synonyms:(1S)-4-Methylcyclohex-3-ene-1-carbonyl chloride;170080-85-0;3-Cyclohexene-1-carbonyl chloride, 4-methyl-, (S)- (9CI);SCHEMBL937997;DTXSID00513766;NZZITUYJLJVUTI-SSDOTTSWSA-N;(1S)-4-Methyl-cyclohex-3-enecarboxylic acid chloride;(1S)-4-methyl-cyclohex-3-ene-1-carboxylic acid chloride

Suppliers and Price of (1S)-4-Methylcyclohex-3-ene-1-carbonyl chloride

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of (1S)-4-Methylcyclohex-3-ene-1-carbonyl chloride Edit

Chemical Property:

Boiling Point:195.9±29.0 °C(Predicted)
PSA：17.07000
Density:1.102±0.06 g/cm3(Predicted)
LogP:2.49820
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:158.0498427
Heavy Atom Count:10
Complexity:172

Purity/Quality:: 99%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCC(CC1)C(=O)Cl
Isomeric SMILES:CC1=CC[C@H](CC1)C(=O)Cl

Technology Process of (1S)-4-Methylcyclohex-3-ene-1-carbonyl chloride

There total 3 articles about (1S)-4-Methylcyclohex-3-ene-1-carbonyl chloride 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:

: 102208-60-6
(S)-4-methyl-3-cyclohexene-1-carboxylic acid

: 170080-85-0
(S)-4-methyl-3-cyclohexene-1-carbonyl chloride

Guidance literature:: With oxalyl dichloride; In benzene; for 4.5h; Ambient temperature;
DOI:10.1080/00397919508011421

Reference yield:

: 102096-63-9
(R)-2-<(S)-4-methyl-3-cyclohexene-1-carboxy>-3,3-dimethyl-γ-butyrolactone

: 170080-85-0
(S)-4-methyl-3-cyclohexene-1-carbonyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / aq. LiOH / tetrahydrofuran; H₂O / 24 h / Ambient temperature

2: oxalyl chloride / benzene / 4.5 h / Ambient temperature

With lithium hydroxide; oxalyl dichloride; In tetrahydrofuran; water; benzene;
DOI:10.1080/00397919508011421

Reference yield:

: 78-79-5,9003-31-0
isoprene

: 170080-85-0
(S)-4-methyl-3-cyclohexene-1-carbonyl chloride

Guidance literature:: Multi-step reaction with 3 steps

1.1: titanium tetrachloride / dichloromethane; hexane / 0.25 h / -10 °C

1.2: 4 h / -10 - 0 °C

2.1: lithium hydroxide monohydrate / water; tetrahydrofuran; methanol / 1 h / 50 °C

3.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 4 h / 0 - 20 °C

With oxalyl dichloride; lithium hydroxide monohydrate; titanium tetrachloride; N,N-dimethyl-formamide; In tetrahydrofuran; methanol; hexane; dichloromethane; water;