trans-2-Butenyl acetate

Base Information

• Chemical Name: trans-2-Butenyl acetate
• CAS No.: 7204-29-7
• Molecular Formula: C6H10 O2
• Molecular Weight: 114.144
• European Community (EC) Number: 230-573-4
• DSSTox Substance ID: DTXSID401014676
• Nikkaji Number: J118.090H,J95.778J
• Mol file: 7204-29-7.mol

Synonyms:TRANS-2-BUTENYL ACETATE;628-08-0;Crotyl acetate;[(E)-but-2-enyl] acetate;7204-29-7;(E)-2-Butenyl acetate;2-Buten-1-ol, acetate;2-Buten-1-ol, 1-acetate, (2E)-;(E)-2-Buten-1-yl acetate;2-Buten-1-ol, acetate, (2E)-;EINECS 230-573-4;2-butenyl acetate;Crotyl alcohol, acetate;(E)-but-2-enyl acetate;(2E)-2-Butenyl acetate;(2E)-2-Butenyl acetate #;SCHEMBL137826;(E)-but-2-en-1-yl acetate;WNHXJHGRIHUOTG-ONEGZZNKSA-N;2-Buten-1-ol, acetate, (E)-;DTXSID401014676;MFCD00039912;AKOS025295569

Chemical Property of trans-2-Butenyl acetate

Chemical Property:

• Vapor Pressure: 3.58E-15mmHg at 25°C
• Boiling Point: 617.4°C at 760 mmHg
• Flash Point: 327.2°C
• PSA: 26.30000
• Density: 1.49g/cm³
• LogP: 1.12560
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 94.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCOC(=O)C
• Isomeric SMILES: C/C=C/COC(=O)C

Technology Process of trans-2-Butenyl acetate

There total 16 articles about trans-2-Butenyl acetate 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: 96.0%

(E)-but-2-enol (504-61-0,542-72-3) + acetyl chloride (75-36-5) → trans-2-butenyl acetate (7204-29-7)

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃; for 0.25h;

DOI:10.1002/chem.200600152

Reference yield: 91.0%

vinyl acetate (108-05-4,9003-20-7) + (E)-but-2-enol (504-61-0,542-72-3) → trans-2-butenyl acetate (7204-29-7)

Guidance literature:

With 4 A molecular sieve; tetrabutylammonium tricarbonylnitrosylferrate; In hexane; at 80 ℃; for 5h;

DOI:10.1021/ol702580a

Reference yield: 86.0%

(E)-but-2-enol (504-61-0,542-72-3) + acetic anhydride (108-24-7) → trans-2-butenyl acetate (7204-29-7)

Guidance literature:

With dmap; triethylamine; In dichloromethane; Ambient temperature; 2-3 h;

upstream raw materials:

(E)-but-2-enol

acetic anhydride

1-butylene

tert-butyl peroxyacetate

Downstream raw materials:

2-methyl-1-phenyl-3-butene-1-ol

(1SR,2SR)-2-methyl-1-phenylbut-3-en-1-ol

(1S*,2R*)-2-methyl-1-phenylbut-3-en-1-ol

(E)-penta-1,3-diene-1,1-diyldibenzene

Refernces

• 1、 Camp, Andrew M.,Kita, Matthew R.,Blackburn, P. Thomas,Dodge, Henry M.,Chen, Chun-Hsing,Miller, Alexander J.M.. "Selecting double bond positions with a single cation-responsive iridium olefin isomerization catalyst". supporting information. p. 2792 - 2800. Retrieved 2021/03/01.
• 2、 Balbino, Jo?o M.,Peral, Daniel,Bay?n, J. Carles,Dupont, Jairton. "The multiple roles of imidazolium ionic liquids in transition-metal catalysis: The palladium-catalyzed telomerization of 1,3-butadiene with acetic acid". . p. 972 - 977. Retrieved 2015/03/18.