2-Butene, 1-chloro-

Base Information

• Chemical Name: 2-Butene, 1-chloro-
• CAS No.: 591-97-9
• Molecular Formula: C4H7Cl
• Molecular Weight: 90.5526
• Hs Code.: 29049090
• DSSTox Substance ID: DTXSID5052258
• Wikidata: Q14757784
• Mol file: 591-97-9.mol

Synonyms:2-Butene, 1-chloro-;2-Buten-1-yl Chloride;alpha-Chloro-beta-butylene;chloro-2-butene;methyallyl chloride;4-chloro-2-butene;3-methylallyl chloride;(EZ)-1-chloro-2-butene;DTXSID5052258;C1686;FT-0624108;FT-0650344;D89204;Q14757784

Chemical Property of 2-Butene, 1-chloro-

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 80.6mmHg at 25°C
• Melting Point: -65 °C
• Refractive Index: n20/D 1.430
• Boiling Point: 84.5 °C at 760 mmHg
• Flash Point: -12°C
• PSA: 0.00000
• Density: 0.909 g/cm³
• LogP: 1.80130
• Storage Temp.: 0-6°C
• Solubility.: water: soluble14g/L at 20°C
• Water Solubility.: 999mg/L(temperature not stated)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 90.0236279
• Heavy Atom Count: 5
• Complexity: 30.6

Purity/Quality:

98% ^*data from raw suppliers

Crotyl Chloride (cis- and trans- mixture, contains ca. 25% 3-Chloro-1-butene) >62.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 11-22-34-43
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC=CCCl
• Uses: Crotyl chloride has been used:to investihgate the kinetics of the reactions of atomic chlorine with series of unsaturated aldehydes and ketones at 298K, to probe structure-reactivity relationshipsin the preparation of (E)-crotyltrichlorosilane

Technology Process of 2-Butene, 1-chloro-

There total 19 articles about 2-Butene, 1-chloro- 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: 28.0%

(E/Z)-2-buten-1-ol (6117-91-5,542-72-3) → 1-chloro-2-butene (591-97-9)

Guidance literature:

With triphenylphosphine; In various solvent(s); at 20 ℃; for 1h;

DOI:10.1016/j.jorganchem.2006.01.009

Reference yield:

1-butylene (106-98-9,9003-28-5) + chlorine (7782-50-5) → 2-chloro-3-butene (563-52-0,35729-37-4) + 1,1-dichlorobutane (541-33-3) + 1,1-dichloro-but-2-ene (51157-81-4,56800-09-0) + 1-chloro-2-butene (591-97-9)

Guidance literature:

at 380 - 390 ℃;

Reference yield:

C9H15NO + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-chloro-5-methylpyridine (18368-64-4) + 1-chloro-2-butene (591-97-9)

Guidance literature:

With bis(trichloromethyl) carbonate; In 1,2-dichloro-ethane; at 0 - 40 ℃; for 2h;

upstream raw materials:

2-hydroxy-3-butene

2-chloro-3-butene

(E/Z)-2-buten-1-ol

1-Methyl-2-propenyl diphenyl phosphate

Downstream raw materials:

3-phenyl-1,5-heptadiene

cis-2-octene

trans-2-Octene

Dimethyl 2-(but-1-en-3-yl)-phenylthiomalonat

Refernces

• 1、 -. "Method for preparing 2-chloro-5-substituted pyridine". Paragraph 0015; 0061-0064; 0065; 0068. . Retrieved 2021/09/21.
• 2、 Denton, Ross M.,An, Jie,Adeniran, Beatrice,Blake, Alexander J.,Lewis, William,Poulton, Andrew M.. "Catalytic phosphorus(V)-mediated nucleophilic substitution reactions: Development of a catalytic appel reaction". experimental part. p. 6749 - 6767. Retrieved 2011/10/02.