4-Heptyloxybenzoyl chloride

Base Information

• Chemical Name: 4-Heptyloxybenzoyl chloride
• CAS No.: 40782-54-5
• Molecular Formula: C14H19ClO2
• Molecular Weight: 254.757
• Hs Code.: 2918990090
• European Community (EC) Number: 255-077-5
• DSSTox Substance ID: DTXSID70961199
• Nikkaji Number: J28.746F
• Wikidata: Q82942557
• Mol file: 40782-54-5.mol

Synonyms:4-Heptyloxybenzoyl chloride;40782-54-5;4-heptoxybenzoyl chloride;4-(Heptyloxy)benzoyl chloride;4-n-Heptyloxybenzoyl chloride;EINECS 255-077-5;4-n-Heptyloxybenzoylchloride;p-heptyloxybenzoyl chloride;SCHEMBL1019300;DTXSID70961199;Benzoyl chloride, 4-(heptyloxy)-;AKOS015889284;FT-0616778

Chemical Property of 4-Heptyloxybenzoyl chloride

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 5.2E-05mmHg at 25°C
• Melting Point: 226-227 ºC
• Refractive Index: n20/D 1.533(lit.)
• Boiling Point: 348 °C at 760 mmHg
• Flash Point: 131 °C
• PSA: 26.30000
• Density: 1.066 g/cm³
• LogP: 4.41480
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 254.1073575
• Heavy Atom Count: 17
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

4-N-HEPTYLOXYBENZOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCOC1=CC=C(C=C1)C(=O)Cl

Technology Process of 4-Heptyloxybenzoyl chloride

There total 20 articles about 4-Heptyloxybenzoyl 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: 100.0%

→ 4-heptyloxybenzoyl chloride (40782-54-5)

Guidance literature:

Reference yield: 84.0%

4-heptyloxybenzoic acid (15872-42-1) → 4-heptyloxybenzoyl chloride (40782-54-5)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; Heating;

Reference yield:

1-Bromoheptane (629-04-9) → 4-heptyloxybenzoyl chloride (40782-54-5)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol / Heating

2: SOCl₂

With potassium hydroxide; thionyl chloride; In ethanol;

DOI:10.1080/10587250108025027

upstream raw materials:

4-heptyloxybenzoic acid

1-Bromoheptane

4-hydroxy-benzoic acid

1-Iodoheptane

Downstream raw materials:

bis p,p'-(p''-n-heptyloxy benzanilide)-o-dianisidine

4-Heptyloxy-benzoic acid 4-benzyloxy-phenyl ester

4-Heptyloxy-benzoic acid 2-(4-heptyloxy-phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl ester

4-Heptyloxy-benzoic acid 4-propionyl-phenyl ester

Refernces

• 1、 Chapagai, Danda,Ramamoorthy, Gurusankar,Varghese, Jessy,Nurmemmedov, Elmar,McInnes, Campbell,Wyatt, Michael D.. "Nonpeptidic, Polo-Box Domain-Targeted Inhibitors of PLK1 Block Kinase Activity, Induce Its Degradation and Target-Resistant Cells". supporting information. p. 9916 - 9925. Retrieved 2021/07/26.
• 2、 Thakur, Shavi,Patel, Hemant N.. "Synthesis and characterization of novel rod-like ester-based liquid crystalline homologous series: Effect of tert-butyl tail on mesomorphism". . p. 76 - 89. Retrieved 2021/04/14.