4-Methoxybenzoyl chloride

Base Information

• Chemical Name: 4-Methoxybenzoyl chloride
• CAS No.: 100-07-2
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 2918.90
• European Community (EC) Number: 202-816-4
• NSC Number: 86125
• UN Number: 1729
• UNII: TV6DMQ9451
• DSSTox Substance ID: DTXSID9059204
• Nikkaji Number: J28.748B
• Wikidata: Q4117661
• Mol file: 100-07-2.mol

Synonyms:4-Methoxybenzoyl chloride;100-07-2;P-ANISOYL CHLORIDE;Benzoyl chloride, 4-methoxy-;Anisoyl chloride;p-Methoxybenzoyl chloride;4-Methoxybenzoylchloride;4-Anisoyl chloride;4-Methoxybenzoic acid chloride;4-methoxy-benzoyl chloride;Benzoyl chloride, p-methoxy-;p-Methoxybenzoic acid chloride;para-anisoyl chloride;NSC 86125;UN1729;para-methoxybenzoyl chloride;UNII-TV6DMQ9451;HSDB 447;TV6DMQ9451;Benzoic acid, 4-methoxy-, chloride;EINECS 202-816-4;MFCD00000687;NSC-86125;anisoylchlorid-;p-anisoylchloride;anisic acid chloride;rho-anisoyl chloride;p-anisic acid chloride;Chlorure de p-anisoyle;p-methoxybenzoylchloride;4methoxybenzoyl chloride;4-methoxy benzoylchloride;4-Methoxybenzoic chloride;4-methoxylbenzoyl chloride;p-methoxy benzoyl chloride;4 -methoxybenzoyl chloride;4-methoxy benzoyl chloride;WLN: GVR BO1;4-(methoxy)benzoyl chloride;SCHEMBL22288;DTXSID9059204;P-ANISOYL CHLORIDE [MI];4-Methoxybenzoyl chloride, 99%;MXMOTZIXVICDSD-UHFFFAOYSA-;BCP29202;NSC86125;4-methoxy-1-benzenecarbonyl chloride;NA1729;STL141094;AKOS000268745;AM90169;UN 1729;UN-1729;AS-39889;Anisoyl chloride [UN1729] [Corrosive];FT-0618921;FT-0652740;M0721;p-Anisoyl chloride;4-Methoxybenzoyl Chloride (P-Anisoyl Chloride);Q4117661;W-108977;p-Anisoyl Chloride;Benzoyl chloride,4-methoxy

Chemical Property of 4-Methoxybenzoyl chloride

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.0104mmHg at 25°C
• Melting Point: 22 °C(lit.)
• Refractive Index: n20/D 1.581(lit.)
• Boiling Point: 263.2 °C at 760 mmHg
• Flash Point: 87.8 °C
• PSA: 26.30000
• Density: 1.26 g/cm³
• LogP: 2.07420
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: It reacts in water.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 139
• Transport DOT Label: Corrosive

Purity/Quality:

99.9% ^*data from raw suppliers

4-Methoxybenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,F
• Hazard Codes: C,F
• Statements: 14-34-67-65-63-48/20-11
• Safety Statements: 26-36/37/39-45-62-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: COC1=CC=C(C=C1)C(=O)Cl
• Uses: 4-Methoxybenzoyl chloride is used in the synthesis of stilbene and dihydrostilbene derivatives as potential anti-cancer agents. It is also used in the synthesis of coumarin dimers with potential HIV-1 activity.

Technology Process of 4-Methoxybenzoyl chloride

There total 55 articles about 4-Methoxybenzoyl 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:

1-(p-methoxybenzoyl)-3-methylimidazolium chloride (61166-15-2) → 1-methyl-1H-imidazole (616-47-7) + 4-methoxy-benzoyl chloride (100-07-2)

Guidance literature:

In dichloromethane; at 25 ℃; Rate constant; Equilibrium constant;

Reference yield:

4-methoxybenzoic acid (100-09-4) → benzoyl chloride (98-88-4) + 4-methoxy-benzoyl chloride (100-07-2)

Guidance literature:

With Benzotrichlorid; iron(III) chloride; In benzene; at 55 ℃; Product distribution; Rate constant; Thermodynamic data; ΔE(excit.), var. temp.;

Reference yield:

1-(p-methoxybenzoyl)-3-methoxymethylimidazolium chloride (93342-84-8) → 4-methoxy-benzoyl chloride (100-07-2) + 1-(methoxymethyl)imidazole (20075-26-7)

Guidance literature:

In dichloromethane; at 25 ℃; Rate constant; Equilibrium constant;

upstream raw materials:

tetrachloromethane

tert-butylhypochlorite

4-methoxy-benzaldehyde

4-methoxybenzoic acid

Downstream raw materials:

2-diazo-1-(4-methoxyphenyl)ethanone

2-chloro-1-(4-methoxyphenyl)ethanone

2-diazo-1-(4-methoxy-phenyl)-propan-1-one

4-methoxy-benzoic acid-(1-methyl-[3]piperidyl ester)

Refernces

• 1、 Makwana,Doshi. "Dependence of Liquid-Crystal Behavior of a Substance on Molecular Structure". . p. 93 - 101. Retrieved 2015.
• 2、 Chauhan,Doshi, Ankita A.,Doshi. "Synthesis and study of novel liquid crystalline homologous series: 4-(4′- n -alkoxy benzoyloxy)-3-methoxy phenyl azo-3″, 4″ dichlorobenzenes". . p. 84 - 91. Retrieved 2013.
• 3、 Yurchenko,Pogrebova,Pilipenko. "1-Phenacylmethyl-2-(acylaminothiocarbonylamino)pyridinium bromides as protectors of steel acid corrosion". . p. 675 - 677. Retrieved 2007.
• 4、 Wen, Li-Rong,Wang, Shu-Wen,Li, Ming,Qi, Wen-Ying,Zhang, Xiu-Li,Yang, Hua-Zheng. "An unexpected and green synthetic protocol for ethyl 1-aroyl/aroylmethyl-5- methyl-3-methylthiopyrazole-4-carboxylates: High regioselectivity in alkylation and acylation reactions between n-1 and n-2 of a pyrazole ring". . p. 1021 - 1028. Retrieved 2005.
• 5、 Wu, Xiaofang,Zhou, Lei,Yang, Ruoqi,Guo, Fengzhe,Tang, Zi-Long,Xiao, Jing. "A practical chlorination of tert-butyl esters with PCl3 generating acid chlorides". . p. 301 - 304. Retrieved 2020.
• 6、 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 2020.
• 7、 Bhatt, Himanshu S.,Patel, Purvang D.,Dave, Jayrang S.. "Synthesis of liquid crystals with lateral substituents in central and terminal benzene cores and their mesomorphic characterization". . p. 104 - 111. Retrieved 2013.
• 8、 Patel,Doshi, Ankita A.,Prajapati,Doshi. "Synthesis of novel azoester homologous series of liquid crystalline behavior and the study of mesomorphism dependence on lateral substitution of middle phenyl ring". . p. 69 - 76. Retrieved 2016.
• 9、 Chaudhari,Doshi. "Study of the relation between molecular structure and mesomorphic behavior with reference to a novel homologous series: α-3-[4′-n-Alkoxy benzoyloxy] phenyl-β-3″-nitro benzoyl ethylenes". . p. 109 - 116. Retrieved 2013.
• 10、 Xu, Yufang,Huang, Xiayu,Qian, Xuhong,Yao, Wei. "N-Aroyloxylthioxo-naphthalimides as DNA photocleavers of aroyloxyl oxygen radicals: Synthesis, evaluation, and substituents' effect". . p. 2335 - 2341. Retrieved 2004.