Benzoic acid-d

Base Information

• Chemical Name: Benzoic acid-d
• CAS No.: 1005-01-2
• Molecular Formula: C7H5 D O2
• Molecular Weight: 123.115
• Mol file: 1005-01-2.mol

Synonyms:BENZOIC ACID-OD;BENZOIC ACID-D;BENZOIC ACID-OD 98%

Chemical Property of Benzoic acid-d

Chemical Property:

• Melting Point: 121-125 °C(lit.)
• Boiling Point: 249 °C(lit.)
• PSA: 37.30000
• LogP: 1.38480

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzoic acid-d 98 atom % D ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid-d

There total 13 articles about Benzoic acid-d 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: 80.0%

benzoic acid anhydride (93-97-0) → benzoic-acid-d1 (1005-01-2,406679-59-2)

Guidance literature:

With water-d2; at 100 - 110 ℃; for 72h;

DOI:10.1016/S0022-2860(98)00675-9

Reference yield: 66.0%

benzoic acid (65-85-0,8013-63-6) → benzoic-acid-d1 (1005-01-2,406679-59-2)

Guidance literature:

With deuteromethanol; at 20 ℃; for 0.5h;

DOI:10.1002/jlcr.3231

Reference yield: 30.0%

d4-1,2-ethanediol dibenzoate → benzoic-acid-d1 (1005-01-2,406679-59-2)

Guidance literature:

With 5 mol % of carbon supported MoO₂; In neat (no solvent); at 220 ℃; for 16h; under 760.051 Torr; Inert atmosphere;

DOI:10.1002/anie.202007423

upstream raw materials:

benzoyl chloride

benzoic acid anhydride

benzoic acid

Benzaldehyde-d

Downstream raw materials:

4-deuterio-2-methylbut-3-en-2-yl benzoate

3-deuterio-2-methylbut-3-en-2-yl benzoate

α,α-dimethylallyl benzoate

[²H₃]methyl benzoate

Refernces

• 1、 Aneja, Meenakshi,Kothari, Seema,Banerji, Kalyan K.. "Correlation analysis of reactivity in the oxidation of substituted benzaldehydes by pyridinium hydrobromide perbromide". . p. 650 - 656. Retrieved 2001.
• 2、 Tolstoy, Peter M.,Smirnov, Sergei N.,Shenderovich, Ilya G.,Golubev, Nikolai S.,Denisov, Gleb S.,Limbach, Hans-Heinrich. "NMR studies of solid state - Solvent and H/D isotope effects on hydrogen bond geometries of 1:1 complexes of collidine with carboxylic acids". . p. 19 - 27. Retrieved 2004.
• 3、 Fillaux, Francois,Romain, Francois,Limage, Marie-Helene,Leygue, Nadine. "Extended tunnelling states in the benzoic acid crystal: Infrared and Raman spectra of the OH and OD stretching modes". . p. 4327 - 4336. Retrieved 2006.
• 4、 Beak, Peter,Pfeifer, Lance A.. "The reaction of n-butyllithium with benzoic acid: Is nucleophilic addition competitive with deprotonation?". . p. 537 - 541. Retrieved 1997.
• 5、 Gao, Yanshan,Kratish, Yosi,Li, Jiaqi,Liu, Shanfu,Marks, Tobin J.. "Polyethylene Terephthalate Deconstruction Catalyzed by a Carbon-Supported Single-Site Molybdenum-Dioxo Complex". . p. 19857 - 19861. Retrieved 2020.
• 6、 Lukin, Stipe,Tireli, Martina,Stolar, Tomislav,Bari?i?, Dajana,Blanco, Maria Valeria,Di Michiel, Marco,U?arevi?, Krunoslav,Halasz, Ivan. "Isotope Labeling Reveals Fast Atomic and Molecular Exchange in Mechanochemical Milling Reactions". . p. 1212 - 1216. Retrieved 2019.
• 7、 Onda, Masao,Asai, Motoo,Takise, Katsuyuki,Kuwae, Koichi,Hayami, Koji,Kuroe, Akihiko,Mori, Masayoshi,Miyazaki, Hideya,Suzuki, Naoki,Yamaguchi, Ichiro. "Microwave spectrum of benzoic acid". . p. 301 - 303. Retrieved 1999.
• 8、 O'Ferrall et al.. "". . p. 5553,5554. Retrieved 1964.
• 9、 Liang, Ren-Xiao,Song, Ling-Jie,Lu, Jin-Bo,Xu, Wei-Yan,Ding, Chao,Jia, Yi-Xia. "Palladium-Catalyzed Enantioselective Heteroarenyne Cycloisomerization Reaction". supporting information. p. 7412 - 7417. Retrieved 2021/03/01.
• 10、 Ezhov, Roman,Guo, Yisong,Jang, Semin,Kim, Taeyeon,Lee, Yong-Min,Li, Xiao-Xi,Nam, Wonwoo,Pushkar, Yulia,Sarangi, Ritimukta,Seo, Mi Sook,Xiong, Jin,Zhu, Wenjuan. "A Mononuclear Non-heme Iron(III)-Peroxo Complex with an Unprecedented High O-O Stretch and Electrophilic Reactivity". supporting information. p. 15556 - 15561. Retrieved 2021/10/01.