Acetic acid, (phenylmethoxy)-, 1-(1-propenyl)heptyl ester, (Z)-

Base Information

• Chemical Name: Acetic acid, (phenylmethoxy)-, 1-(1-propenyl)heptyl ester, (Z)-
• CAS No.: 102616-19-3
• Molecular Formula: C19H28 O3
• Molecular Weight: 304.4238
• Mol file: 102616-19-3.mol

Synonyms:Acetic acid, (phenylmethoxy)-, 1-(1-propenyl)heptyl ester, (Z)-;102616-19-3

Chemical Property of Acetic acid, (phenylmethoxy)-, 1-(1-propenyl)heptyl ester, (Z)-

Chemical Property:

• Vapor Pressure: 9.33E-07mmHg at 25°C
• Boiling Point: 404.6°Cat760mmHg
• Flash Point: 145.8°C
• PSA: 35.53000
• Density: 0.989g/cm³
• LogP: 4.66150
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 304.20384475
• Heavy Atom Count: 22
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C=CC)OC(=O)COCC1=CC=CC=C1
• Isomeric SMILES: CCCCCCC(/C=C\C)OC(=O)COCC1=CC=CC=C1

Technology Process of Acetic acid, (phenylmethoxy)-, 1-(1-propenyl)heptyl ester, (Z)-

There total 2 articles about Acetic acid, (phenylmethoxy)-, 1-(1-propenyl)heptyl ester, (Z)- 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: 95.0%

Benzyloxyacetyl chloride (19810-31-2) + (Z)-dec-2-en-4-ol (162679-51-8) → (Z)-dec-2-en-4-ol (phenylmethoxy)acetate (102616-19-3)

Guidance literature:

With pyridine; In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1021/jo00226a032

Reference yield:

Benzyloxyacetyl chloride (19810-31-2) + Dec-2-yn-4-ol (71393-77-6) → (Z)-dec-2-en-4-ol (phenylmethoxy)acetate (102616-19-3)

Guidance literature:

With pyridine; hydrogen; Lindlar's catalyst; Yield given. Multistep reaction; 1.) ethyl acetate;

DOI:10.1021/jo00364a058

Reference yield:

(Z)-dec-2-en-4-ol (phenylmethoxy)acetate (102616-19-3) → (4E)-(2S*,3S*)-3-methyl-2-(phenylmethoxy)undec-4-enal (102616-21-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) LDA / 1.) THF, -78 deg C, 1.5 min, 2.) THF, -78 deg C, 10 min

2: tetrahydrofuran / 2 h / -78 - 25 °C

3: LiAlH₄ / tetrahydrofuran / 0 °C

4: 99 percent / (COCl)2, (CH₃)2SO, (C₂H₅)3N / CH₂Cl₂ / 1 h / Ambient temperature

With lithium aluminium tetrahydride; oxalyl dichloride; dimethyl sulfoxide; triethylamine; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo00226a032

upstream raw materials:

Benzyloxyacetyl chloride

Dec-2-yn-4-ol

(Z)-dec-2-en-4-ol

Downstream raw materials:

methyl (E)-(2R*,3S*)-3-methyl-2-(phenylmethoxy)undec-4-enoate

(E)-(2R,3R)-2-Benzyloxy-3-methyl-undec-4-en-1-ol

(4E)-(2S*,3S*)-3-methyl-2-(phenylmethoxy)undec-4-enal

(2E,7E)-(4R*,5R*,6R*)-6-methyl-5-(phenylmethoxy)tetradeca-2,7-dien-4-ol