trans-2-Hepten-1-ol

Base Information

• Chemical Name: trans-2-Hepten-1-ol
• CAS No.: 22104-77-4
• Molecular Formula: C7H14 O
• Molecular Weight: 114.188
• European Community (EC) Number: 251-534-8
• NSC Number: 244909
• UNII: Q989YFO10I
• DSSTox Substance ID: DTXSID30879009
• Nikkaji Number: J126.437K,J187.443H
• ChEMBL ID: CHEMBL2228464
• Mol file: 22104-77-4.mol

Synonyms:trans-2-Hepten-1-ol;33467-76-4;(E)-2-Hepten-1-ol;(E)-Hept-2-en-1-ol;2-Hepten-1-ol;2-Hepten-1-ol, (E)-;2-HEPTENOL;2-Hepten-1-ol, (2E)-;22104-77-4;(2E)-2-Hepten-1-ol;UNII-Q989YFO10I;Q989YFO10I;EINECS 251-534-8;NSC 244909;NSC-244909;AI3-36042;trans-2-heptenol;NSC244909;(E)-2-Heptenol;.BETA.-HEPTENOL;trans-hept-2-en-1-ol;(trans)-2-heptene-1-ol;SCHEMBL329735;CHEMBL2228464;DTXSID30879009;N-HEPT-TRANS-2-EN-1-OL;MFCD00014056;AKOS028109463;HY-W127451;AI3-34384;J126.437K;J187.443H;CS-0185682;H0682;J-019200;Q27287134;trans-2-Hepten-1-ol, 96%, remainder mainly cis-isomer

Chemical Property of trans-2-Hepten-1-ol

Chemical Property:

• Vapor Pressure: 0.307mmHg at 25°C
• Boiling Point: 177.8°C at 760 mmHg
• Flash Point: 68.5°C
• Density: 0.844g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 57.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC=CCO
• Isomeric SMILES: CCCC/C=C/CO

Technology Process of trans-2-Hepten-1-ol

There total 4 articles about trans-2-Hepten-1-ol 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: 73.0%

3-Butyl-acrolein (2463-63-0) → hept-2-en-1-ol (22104-77-4) + n-heptan1ol (111-70-6)

Guidance literature:

With Ca(BH₂S₃)2; In tetrahydrofuran; for 1.2h; Heating;

DOI:10.1080/10426500008043654

Reference yield: 54.0%

2,2-dimethyl-4,7-dihydro-1,3-dioxepin (1003-83-4) + n-propylmagnesium bromide (927-77-5) → (E/Z)-2-buten-1-ol (6117-91-5,542-72-3) + (E)-5-decene (7433-56-9) + hept-2-en-1-ol (22104-77-4) + 2-propyl-3-buten-1-ol (1830-48-4)

Guidance literature:

With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In diethyl ether; for 3h; Ambient temperature;

Reference yield:

2-methyl-4,7-dihydro-1,3-dioxepine (7045-86-5) + n-propylmagnesium bromide (927-77-5) → (E/Z)-2-buten-1-ol (6117-91-5,542-72-3) + (E)-5-decene (7433-56-9) + hept-2-en-1-ol (22104-77-4) + 2-propyl-3-buten-1-ol (1830-48-4)

Guidance literature:

With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In diethyl ether; for 4h; Ambient temperature;

upstream raw materials:

2,2-dimethyl-4,7-dihydro-1,3-dioxepin

n-propylmagnesium bromide

2-methyl-4,7-dihydro-1,3-dioxepine

3-Butyl-acrolein

Downstream raw materials:

3-(n-Butyl)acrylic acid

3-Butyl-acrolein

azelaic acid

n-heptan1ol

Refernces

• 1、 Firouzabadi, Habib,Tamami, Bahman,Kiasat, Ali Reza. "Efficient reduction of organic compounds with sulfurated calcium borohydride [Ca(S3BH2)2], a new and stable modified borohydride reagent". . p. 99 - 108. Retrieved 2007/10/03.