1-Chloro-2-methyl-2-butene

Base Information

• Chemical Name: 1-Chloro-2-methyl-2-butene
• CAS No.: 23009-73-6
• Molecular Formula: C5H9 Cl
• Molecular Weight: 104.578
• European Community (EC) Number: 828-216-8
• UNII: XXC8K5VLP8
• Nikkaji Number: J65.741G
• Wikidata: Q76305370
• Mol file: 23009-73-6.mol

Synonyms:1-CHLORO-2-METHYL-2-BUTENE;(E)-1-chloro-2-methylbut-2-ene;2-Butene, 1-chloro-2-methyl-;23009-73-6;13417-43-1;CCRIS 864;(2E)-1-chloro-2-methylbut-2-ene;XXC8K5VLP8;trans-1-Chloro-2-methyl-2-butene;2-Butene, 1-chloro-2-methyl-, (E)-;starbld0020018;UNII-XXC8K5VLP8;C5H19Cl;C5-H19-Cl;SCHEMBL2427541;ZAJKEDQTROWDDD-HWKANZROSA-N;(e)-1-chloro-2-methyl-2-butene;1-chloro-2-methyl-trans-but-2-ene;4-CHLORO-3-METHYL-2-BUTENE;(2E)-1-Chloro-2-methyl-2-butene #;LS-46939;EN300-4997570

Chemical Property of 1-Chloro-2-methyl-2-butene

Chemical Property:

• Boiling Point: 110°Cat760mmHg
• Flash Point: 8.8°C
• Density: 0.902g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 104.0392780
• Heavy Atom Count: 6
• Complexity: 55

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=C(C)CCl
• Isomeric SMILES: C/C=C(\C)/CCl

Technology Process of 1-Chloro-2-methyl-2-butene

There total 7 articles about 1-Chloro-2-methyl-2-butene 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: 92.0%

(E)-2-methyl-2-buten-1-ol (497-02-9) → trans-1-chloro-2-methylbut-2-ene (23009-73-6)

Guidance literature:

With 1,1,1,3,3,3-hexachloro-propan-2-one; triphenylphosphine; at 5 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.5b01601

Reference yield:

3-methyl-3-buten-2-ol (10473-14-0) → Methallyl chloride (23009-74-7) + trans-1-chloro-2-methylbut-2-ene (23009-73-6)

Guidance literature:

With 1,1,1,3,3,3-hexachloro-propan-2-one; triphenylphosphine;

DOI:10.1021/jo01317a011

Reference yield:

Tiglic acid (80-59-1) → trans-1-chloro-2-methylbut-2-ene (23009-73-6)

Guidance literature:

Multistep reaction; (i) LiAlH₄, (ii) hexachloroacetone, Ph₃P;

DOI:10.1021/jo01317a011

upstream raw materials:

(E)-2-methyl-2-buten-1-ol

Tiglic acid

3-methyl-3-buten-2-ol

methyl (E)-2-methyl-2-butenoate

Downstream raw materials:

(2E)-2-Methyl-1-p-tolylsulphonylbut-2-ene

5-benzoyloxy-4-p-tolylsulphonyl-2-methylocta-2,6-diene

(all-E)-3,6-dimethylocta-2,4,6-triene

Benzoic acid (E)-3-methyl-1-((E)-1-methyl-propenyl)-2-(toluene-4-sulfonyl)-pent-3-enyl ester