3-Phenylpropyl phenylacetate

Base Information

• Chemical Name: 3-Phenylpropyl phenylacetate
• CAS No.: 122-44-1
• Molecular Formula: C17H18 O2
• Molecular Weight: 254.329
• Hs Code.: 2916399090
• European Community (EC) Number: 204-544-1
• NSC Number: 6688
• DSSTox Substance ID: DTXSID30153457
• Nikkaji Number: J297.775C
• Wikidata: Q83020332
• Mol file: 122-44-1.mol

Synonyms:3-Phenylpropyl phenylacetate;122-44-1;3-phenylpropyl 2-phenylacetate;Benzeneacetic acid, 3-phenylpropyl ester;EINECS 204-544-1;phenylpropyl phenylacetate;3-Phenylpropyl phenylacetate #;SCHEMBL3396096;DTXSID30153457;NSC6688;NSC 6688;NSC-6688;Phenylacetic acid 3-phenylpropyl ester;Phenylacetic acid, 3-phenylpropyl ester;Acetic acid, phenyl-, 3-phenylpropyl ester

Chemical Property of 3-Phenylpropyl phenylacetate

Chemical Property:

• Vapor Pressure: 4.3E-06mmHg at 25°C
• Boiling Point: 383.7°Cat760mmHg
• Flash Point: 150.8°C
• PSA: 26.30000
• Density: 1.077g/cm³
• LogP: 3.40510
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 254.130679813
• Heavy Atom Count: 19
• Complexity: 250

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCOC(=O)CC2=CC=CC=C2

Technology Process of 3-Phenylpropyl phenylacetate

There total 3 articles about 3-Phenylpropyl phenylacetate 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: 96.0%

1-triphenylmethoxy-3-phenylpropane (299203-18-2) + phenylacetyl chloride (103-80-0) → 3-phenylpropyl 2-phenylacetate (122-44-1)

Guidance literature:

With sodium iodide; In 1,2-dichloro-ethane; at 20 ℃; for 10h;

DOI:10.1055/s-2003-37641

Reference yield: 65.0%

3-Phenyl-1-propanol (122-97-4) + carbon monoxide (201230-82-2) + sodium 2-benzylidene-1-tosylhydrazin-1-ide (27992-27-4,40154-38-9) → 3-phenylpropyl 2-phenylacetate (122-44-1)

Guidance literature:

With potassium phosphate; cobalt(II) 5,10,15,20-tetraphenylporphyrin; In toluene; at 50 ℃; for 18h; under 7500.75 Torr; Inert atmosphere; Autoclave;

DOI:10.1002/chem.201301731

Reference yield:

phenylacetic acid (103-82-2) + 3-Phenyl-1-propanol (122-97-4) → 3-phenylpropyl 2-phenylacetate (122-44-1)

Guidance literature:

Multistep reaction; (i) 3-ethyl-2-fluoro-benzothiazolium tetrafluoroborate, Et₃N, (ii) /BRN= 1099647/;

DOI:10.1246/cl.1976.267

upstream raw materials:

phenylacetic acid

3-Phenyl-1-propanol

1-triphenylmethoxy-3-phenylpropane

phenylacetyl chloride

Refernces

• 1、 Kobayashi, Kumiko,Watahiki, Tsutomu,Oriyama, Takeshi. "A facile and efficient one-step conversion of alcohol triphenylmethyl ethers to the corresponding acetates". . p. 484 - 486. Retrieved 2007/10/03.