Methyl (E)-non-6-enoate

Base Information

• Chemical Name: Methyl (E)-non-6-enoate
• CAS No.: 40709-04-4
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2916190090
• European Community (EC) Number: 255-049-2
• UNII: W65X3524YG
• DSSTox Substance ID: DTXSID60193689
• Nikkaji Number: J294.740D,J110.854I
• Wikidata: Q76305401
• Metabolomics Workbench ID: 4170
• Mol file: 40709-04-4.mol

Synonyms:Methyl (E)-non-6-enoate;40709-04-4;formyl 6E-nonenoate;6-Nonenoic acid, methyl ester;W65X3524YG;methyl (e)-6-nonenoate;EINECS 255-049-2;6-Nonenoic acid, methyl ester, (E)-;UNII-W65X3524YG;AI3-34820;WE(1:0/9:1(6E));20731-21-9;Methyl 6E-nonenoate;Methyl(E)-non-6-enoate;6-Nonenoic acid methyl ester;Methyl (6E)-6-nonenoate #;SCHEMBL5934155;SCHEMBL7192944;DTXSID60193689;CHEBI:180240;IAXJWKAHMIYBRY-SNAWJCMRSA-N;(E)-6-Nonenoic acid methyl ester;LMFA07010525

Chemical Property of Methyl (E)-non-6-enoate

Chemical Property:

• Vapor Pressure: 0.165mmHg at 25°C
• Boiling Point: 213.3°Cat760mmHg
• Flash Point: 76.3°C
• PSA: 26.30000
• Density: 0.892g/cm³
• LogP: 2.68600
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCCCCC(=O)OC
• Isomeric SMILES: CC/C=C/CCCCC(=O)OC

Technology Process of Methyl (E)-non-6-enoate

There total 4 articles about Methyl (E)-non-6-enoate 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:

(E)-1-bromo-hept-4-ene (31502-26-8) → methyl (6E)-6-nonenoate (40709-04-4)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / dimethylformamide / 1) 15 min, 2) 80-85 deg C, 4 h

2: LiCl, H₂O / 5 h / Heating

With water; sodium hydride; lithium chloride; In N,N-dimethyl-formamide;

Reference yield:

(E)-hept-4-en-1-ol (24469-79-2) → methyl (6E)-6-nonenoate (40709-04-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 81 percent / Ph₃P, Br₂ in CCl₄, pyridine / CH₂Cl₂ / 1 h / Ambient temperature

2: NaH / dimethylformamide / 1) 15 min, 2) 80-85 deg C, 4 h

3: LiCl, H₂O / 5 h / Heating

With pyridine; water; bromine; sodium hydride; triphenylphosphine; lithium chloride; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

((E)-2-Hept-4-enyl)-malonic acid dimethyl ester (93092-25-2) → methyl (6E)-6-nonenoate (40709-04-4)

Guidance literature:

With water; lithium chloride; for 5h; Yield given; Heating;

upstream raw materials:

((E)-2-Hept-4-enyl)-malonic acid dimethyl ester

(E)-1-bromo-hept-4-ene

(E)-hept-4-en-1-ol

Downstream raw materials:

(E)-6-nonen-1-ol