Iso-Propylphenoxyacetyl Chloride

Base Information

• Chemical Name: Iso-Propylphenoxyacetyl Chloride
• CAS No.: 65118-10-7
• Molecular Formula: C₁₁H₁₃ClO₂
• Molecular Weight: 212.676
• Hs Code.: 2918990090
• European Community (EC) Number: 679-259-2
• DSSTox Substance ID: DTXSID80461615
• Nikkaji Number: J3.498.674F
• Mol file: 65118-10-7.mol

Synonyms:Iso-Propylphenoxyacetyl Chloride;65118-10-7;3-methyl-2-phenoxyButanoyl chloride;3-METHYL-2-PHENOXYBUTYRYL CHLORIDE;ISO-PROPYLPHENOXYACETYLCHLORIDE;SCHEMBL6363530;DTXSID80461615;MFCD02262198;AKOS022260090;CS-0365939;FT-0769016;3-Methyl-2-phenoxybutanoyl chloride, AldrichCPR

Chemical Property of Iso-Propylphenoxyacetyl Chloride

Chemical Property:

• Vapor Pressure: 0.00813mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 267.5°C at 760 mmHg
• Flash Point: 99.7°C
• PSA: 26.30000
• Density: 1.126g/cm³
• LogP: 2.85540
• Sensitive.: Moisture Sensitive
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 212.0604073
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

Iso-PropylphenoxyacetylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)Cl)OC1=CC=CC=C1

Technology Process of Iso-Propylphenoxyacetyl Chloride

There total 1 articles about Iso-Propylphenoxyacetyl Chloride 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:

(RS)-2-phenoxyisovaleric acid (13794-02-0) → 3-methyl-2-phenoxy-butanoyl chloride (65118-10-7)

Guidance literature:

With phosphorus pentachloride;

DOI:10.1111/j.1748-0361.2000.tb00482.x

Reference yield:

3-methyl-2-phenoxy-butanoyl chloride (65118-10-7) → 1-acetoxy-4-methyl-3-phenoxy-2-pentanone (92689-03-7)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether / 3 h / -10 °C

2: SOCl₂ / CCl₄ / 3 h / Ambient temperature

3: AcOK / 12 h / 120 °C

With thionyl chloride; potassium acetate; In tetrachloromethane; diethyl ether;

DOI:10.1016/S0040-4020(01)91146-9

Reference yield:

3-methyl-2-phenoxy-butanoyl chloride (65118-10-7) → 3-acetoxy-4-methyl-3-phenoxy-2-pentanone (92689-02-6)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether / 3 h / -10 °C

2: SOCl₂ / CCl₄ / 3 h / Ambient temperature

3: AcOK / 12 h / 120 °C

With thionyl chloride; potassium acetate; In tetrachloromethane; diethyl ether;

DOI:10.1016/S0040-4020(01)91146-9

upstream raw materials:

(RS)-2-phenoxyisovaleric acid

Downstream raw materials:

1-diazo-4-methyl-3-phenoxy-2-pentanone

4-methyl-3-phenoxy-3-penten-2-one

1-chloro-4-methyl-3-phenoxy-2-pentanone

3-acetoxy-4-methyl-3-phenoxy-2-pentanone