Benzoyl chloride, 4-(pentyloxy)-

Base Information

• Chemical Name: Benzoyl chloride, 4-(pentyloxy)-
• CAS No.: 36823-84-4
• Molecular Formula: C12H15ClO2
• Molecular Weight: 226.703
• Hs Code.: 29189990
• European Community (EC) Number: 253-230-0
• NSC Number: 7951
• UNII: 7106R4S2OR
• DSSTox Substance ID: DTXSID2068002
• Nikkaji Number: J28.747D
• Wikidata: Q81994695
• Mol file: 36823-84-4.mol

Synonyms:4-(pentyloxy)benzoyl chloride;36823-84-4;Benzoyl chloride, 4-(pentyloxy)-;p-Pentoxybenzoyl chloride;4-Pentyloxybenzoyl chloride;4-n-Pentyloxybenzoyl chloride;4-pentoxybenzoyl chloride;p-(Pentyloxy)benzoyl chloride;4-n-Amyloxybenzoyl chloride;p-Pentyloxybenzoyl chloride;7106R4S2OR;NSC 7951;NSC-7951;EINECS 253-230-0;MFCD00041723;4-(pentyloxy)benzoylchloride;UNII-7106R4S2OR;SCHEMBL1023839;4-(n-pentyloxy)benzoyl chloride;DTXSID2068002;NSC7951;4-(n-pentyloxy) benzoyl chloride;4-(AMYLOXY)BENZOYL CHLORIDE;STR04369;BBL014960;AKOS005173312;BENZOYL CHLORIDE, P-PENTYLOXY-;4-PENTYLOXYBENZOIC ACID CHLORIDE;4-N-Pentyloxybenzoyl chloride, AldrichCPR;CS-0323342;FT-0616847;F2146-0650

Chemical Property of Benzoyl chloride, 4-(pentyloxy)-

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.000245mmHg at 25°C
• Melting Point: 160 ºC
• Refractive Index: 1.542-1.544
• Boiling Point: 324.5 °C at 760 mmHg
• Flash Point: 120.5 °C
• PSA: 26.30000
• Density: 1.101 g/cm³
• LogP: 3.63460
• Sensitive.: Moisture Sensitive
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 226.0760574
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

4-(Pentyloxy)benzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-29-36
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=CC=C(C=C1)C(=O)Cl

Technology Process of Benzoyl chloride, 4-(pentyloxy)-

There total 16 articles about Benzoyl chloride, 4-(pentyloxy)- 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%

4-(pentyloxy)benzoic acid (15872-41-0) → 4-pentyloxybenzoyl chloride (36823-84-4)

Guidance literature:

With thionyl chloride;

DOI:10.1134/S1070428007120068

Reference yield:

1-Bromopentane (110-53-2) → 4-pentyloxybenzoyl chloride (36823-84-4)

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

Reference yield:

4-hydroxy-benzoic acid (99-96-7) → 4-pentyloxybenzoyl chloride (36823-84-4)

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-(pentyloxy)benzoic acid

1-Bromopentane

4-hydroxy-benzoic acid

Ethyl 4-hydroxybenzoate

Downstream raw materials:

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

p-thiocyanatophenyl p'-pentyloxybenzoate

4-Pentyloxy-benzoic acid 4-benzyloxy-phenyl ester

4-formylphenyl 4-pentyloxybenzoate

Refernces

• 1、 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.
• 2、 Nguyen, T. Vu,Minrovic, Bradley M.,Melander, Roberta J.,Melander, Christian. "Identification of Anti-Mycobacterial Biofilm Agents Based on the 2-Aminoimidazole Scaffold". . p. 927 - 937. Retrieved 2019/03/26.