Butyl crotonate

Base Information

• Chemical Name: Butyl crotonate
• CAS No.: 7299-91-4
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.198
• Hs Code.: 2916190090
• European Community (EC) Number: 230-742-2,611-806-2
• UNII: K9A7JVP79T
• DSSTox Substance ID: DTXSID30920525
• Nikkaji Number: J43.286E,J223.960D
• Wikidata: Q106618566
• ChEMBL ID: CHEMBL3273386
• Mol file: 7299-91-4.mol

Synonyms:BUTYL CROTONATE;7299-91-4;2-Butenoic acid, butyl ester;butyl (E)-but-2-enoate;Butyl 2-butenoate;Crotonic acid, butyl ester;n-Butyl crotonate;591-63-9;Crotonic acid n-butyl ester;butyl (E)-2-butenoate;trans-Butyl crotonate;Butyl crotonate, trans-;EINECS 230-742-2;Butyl trans-but-2-enoate;2-Butenoic acid, butyl ester, (2E)-;K9A7JVP79T;Crotonic acid, butyl ester, (E)-;2-Butenoic acid, butyl ester, (E)-;Butyl (2E)-2-butenoate #;(E)-2-Butenoic acid butyl ester;(E)-Butylbut-2-enoate;Crotonic Acid Butyl Ester;(E)-Butyl but-2-enoate;Butyl 2-butenoate, (E);UNII-K9A7JVP79T;2-Butenoic acid butyl ester;SCHEMBL109750;SCHEMBL109751;CHEMBL3273386;DTXSID30920525;GWCTUKHUBWMAMI-GQCTYLIASA-N;GWCTUKHUBWMAMI-UHFFFAOYSA-N;(E)-but-2-enoic acid butyl ester;MFCD00053794;2-Butenoic acid, butyl ester (9CI);LS-55557;CS-0363135;Q10261807

Chemical Property of Butyl crotonate

Chemical Property:

• Refractive Index: 1.4320-1.4330
• Boiling Point: 180 °C
• Flash Point: 64 °C
• PSA: 26.30000
• Density: 0.90
• LogP: 1.90580
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

Butyl Crotonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Butyl crotonate

There total 12 articles about Butyl crotonate 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: 90.0%

acrylic acid n-butyl ester (141-32-2,9003-49-0) + 1-(bis(trimethylsilyl)methyl)-3-(3-methoxyphenyl)-1-methylurea (1042728-32-4) → n-butyl crotonate (591-63-9,76754-49-9,7299-91-4)

Guidance literature:

With palladium diacetate; acetic acid; p-benzoquinone; at 60 ℃; for 2h;

DOI:10.1002/anie.200800815

Reference yield: 90.0%

acrylic acid n-butyl ester (141-32-2,9003-49-0) + 1,1,3-trimethyl-3-((trimethylsilyl)methyl)urea (1042728-30-2) → n-butyl crotonate (591-63-9,76754-49-9,7299-91-4)

Guidance literature:

With palladium diacetate; acetic acid; p-benzoquinone; at 70 ℃; for 0.66h;

DOI:10.1002/anie.200800815

Reference yield: 90.0%

acrylic acid n-butyl ester (141-32-2,9003-49-0) + 1-(bis(trimethylsilyl)methyl)-1-methyl-3-phenylurea (1042728-31-3) → n-butyl crotonate (591-63-9,76754-49-9,7299-91-4)

Guidance literature:

With palladium diacetate; acetic acid; p-benzoquinone; at 70 ℃; for 0.75h;

DOI:10.1002/anie.200800815

upstream raw materials:

3,5-dimethyl-4-thia-heptanedioic acid dibutyl ester

(E/Z)-2-butenyl butyl ether

acrylic acid n-butyl ester

1-(bis(trimethylsilyl)methyl)-3-(3-methoxyphenyl)-1-methylurea

Downstream raw materials:

2,3,4-trimethylcyclopent-2-en-1-one

butan-1-ol

butene-2

acrylic acid n-butyl ester

Refernces

• 1、 Qiu, Yunfeng,Sun, Hongnan,Ma, Zhuo,Xia, Wujiong. "Efficient, stable, and reusable Lewis acid-surfactant-combined catalyst: One-pot Biginelli and solvent-free esterification reactions". . p. 76 - 82. Retrieved 2014/06/10.
• 2、 Campos, Jose Luiz,Giovani, Wagner F. De,Romero, Jose Ricardo. "Electrocatalytic Oxidation of Allylic Ethers, Dihydropyran and Phenol Using a Polypyridyl Complex of Ruthenium(IV)". . p. 597 - 599. Retrieved 2007/10/02.