BENZOIC-4-D1 ACID

Base Information

• Chemical Name: BENZOIC-4-D1 ACID
• CAS No.: 4551-62-6
• Molecular Formula: C7H5 D O2
• Molecular Weight: 123.115
• Mol file: 4551-62-6.mol

Synonyms:Benzoic-p-dacid (7CI,8CI); 4-Deuteriobenzoic acid; p-Deuteriobenzoic acid;p-Deuterobenzoic acid

Chemical Property of BENZOIC-4-D1 ACID

Chemical Property:

• PSA: 37.30000
• LogP: 1.38480

Purity/Quality:

99% ^*data from raw suppliers

Benzoic-4-d1Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BENZOIC-4-D1 ACID

There total 14 articles about BENZOIC-4-D1 ACID 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: 98.0%

4-Hydrazinobenzoic acid (619-67-0) → p-deuterobenzoic acid (4551-62-6)

Guidance literature:

With ammonium cerium (IV) nitrate; d⁽⁴⁾-methanol; at 20 ℃;

DOI:10.1055/s-2007-1072749

Reference yield: 97.0%

4-Bromobenzoic acid (586-76-5) → p-deuterobenzoic acid (4551-62-6)

Guidance literature:

With 1,2-propylene cyclic carbonate; water-d2; at 100 ℃; under 75007.5 Torr; chemoselective reaction; Flow reactor; Green chemistry;

DOI:10.1039/c8gc03192d

Reference yield: 96.0%

4-iodobenzoic acid (619-58-9) → p-deuterobenzoic acid (4551-62-6)

Guidance literature:

With sodium hypophosphite; diclazuril; potassium carbonate; isobutyric Acid; α,α'-azodiizobutyramidine-dihydrochloride; In water-d2; for 5h; Heating;

DOI:10.1246/bcsj.74.225

upstream raw materials:

4-Bromobenzoic acid

para-chloroacetophenone

para-bromoacetophenone

acetophenone

Downstream raw materials:

methyl<4-2H>benzoate

2,4,6-tribromoaniline

<α,α,4-2H3>benzyl alcohol

4-bromoacetanilide

Refernces

• 1、 -. "Method for synthesizing deuterated compound in aqueous phase solvent". Paragraph 0092-0097. . Retrieved 2021/05/12.
• 2、 Lang, Yatao,Li, Chao-Jun,Peng, Xiangjun,Zeng, Huiying. "Photoinduced catalyst-free deborylation-deuteration of arylboronic acids with D2O". supporting information. p. 6323 - 6327. Retrieved 2020/11/09.