2-Benzylideneheptan-1-ol

Base Information

• Chemical Name: 2-Benzylideneheptan-1-ol
• CAS No.: 101-85-9
• Molecular Formula: C14H20 O
• Molecular Weight: 204.312
• Hs Code.: 2918195000
• European Community (EC) Number: 202-982-8
• UNII: 36J0A47E6X
• Nikkaji Number: J22.121J
• Wikidata: Q27256571
• RXCUI: 1312537
• Metabolomics Workbench ID: 47233
• ChEMBL ID: CHEMBL3182479
• Mol file: 101-85-9.mol

Synonyms:2-pentylcinnamic alcohol;alpha-amylcinnamic alcohol

Chemical Property of 2-Benzylideneheptan-1-ol

Chemical Property:

• Vapor Pressure: 6.27E-05mmHg at 25°C
• Refractive Index: n20/D 1.519(lit.)
• Boiling Point: 331.3°Cat760mmHg
• PKA: 14.69±0.10(Predicted)
• Flash Point: 134.1°C
• PSA: 20.23000
• Density: 0.971g/cm³
• LogP: 3.64260
• Storage Temp.: 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 204.151415257
• Heavy Atom Count: 15
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

α-Amylcinnamyl alcohol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCC(=CC1=CC=CC=C1)CO
• Isomeric SMILES: CCCCC/C(=C/C1=CC=CC=C1)/CO
• Uses: Perfumery, flavoring.

Technology Process of 2-Benzylideneheptan-1-ol

There total 9 articles about 2-Benzylideneheptan-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: 99.0%

jasminaldehyde (122-40-7) → α-pentylcinnamyl alcohol (101-85-9)

Guidance literature:

With formic acid; iron(II) tetrafluoroborate hexahydrate; tris(2-diphenylphosphinoethyl)phosphine; In tetrahydrofuran; at 60 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.jorganchem.2013.06.010

Reference yield: 98.0%

jasminaldehyde (78605-96-6) → trans-2-benzylidene-1-heptanol (101-85-9)

Guidance literature:

With bis(triphenylphosphine)copper(I) nitrate; hydrogen; 1,4-di(diphenylphosphino)-butane; sodium hydroxide; In ethanol; at 50 ℃; for 16h; under 37503.8 Torr; optical yield given as %de; chemoselective reaction; Autoclave; Inert atmosphere;

DOI:10.1055/s-0028-1216726

Reference yield: 92.0%

jasminaldehyde (122-40-7) → (±)-2-benzyl-1-heptanol (92368-90-6) + α-pentylcinnamyl alcohol (101-85-9)

Guidance literature:

With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; sodium formate; In water; at 80 ℃; for 0.5h; chemoselective reaction; Schlenk technique;

DOI:10.1021/acs.organomet.9b00353

upstream raw materials:

benzyl alcohol

jasminaldehyde

jasminaldehyde

methanol

Downstream raw materials:

(E)-N-(5-(2-benzylideneheptyl)quinolin-8-yl)pivalamide