MANDELIC-2,3,4,5,6-D5 ACID

Base Information

• Chemical Name: MANDELIC-2,3,4,5,6-D5 ACID
• CAS No.: 70838-71-0
• Molecular Formula: C8H3D5O3
• Molecular Weight: 157.11
• Mol file: 70838-71-0.mol

Synonyms:MANDELIC-2,3,4,5,6-D5 ACID

Chemical Property of MANDELIC-2,3,4,5,6-D5 ACID

Chemical Property:

• Melting Point: 120-121 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
• PSA: 57.53000
• LogP: 0.80460
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly), Water (Slightly,

Purity/Quality:

97% ^*data from raw suppliers

(±)-Mandelic-2,3,4,5,6-d5Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (±)-Mandelic-2,3,4,5,6-d5 Acid is labelled Mandelic Acid (M162525) which is used as an antiseptic (urinary). Mandelic Acid (M162525) is also used as a short-term exposure biomarker in urine from styrene exposed workers. (±)-Mandelic-2,3,4,5,6-d5 Acid is a labelled Mandelic Acid (M162525) which is used as an antiseptic (urinary). Mandelic Acid (M162525) is also used as a short-term exposure biomarker in urine from styrene exposed workers.

Technology Process of MANDELIC-2,3,4,5,6-D5 ACID

There total 5 articles about MANDELIC-2,3,4,5,6-D5 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: 82.0%

dichloroacetophenone-d5 (70838-70-9) → (RS)-2-hydroxy-2-(D5)phenylacetic acid (70838-71-0)

Guidance literature:

With water; sodium hydroxide; at 110 ℃; for 0.183333h; Microwave irradiation;

DOI:10.1016/j.tetasy.2014.11.007

Reference yield:

Ethylmandelat- (70838-72-1) → (RS)-2-hydroxy-2-(D5)phenylacetic acid (70838-71-0)

Guidance literature:

With lithium hydroxide; at 20 ℃; for 0.166667h;

DOI:10.1021/acs.orglett.1c02080

Reference yield:

benzene-d6 (1076-43-3) → (RS)-2-hydroxy-2-(D5)phenylacetic acid (70838-71-0)

Guidance literature:

Multi-step reaction with 3 steps

1: aluminum (III) chloride / 4 h / 0 °C

2: sodium tetrahydroborate / 1 h / 0 °C

3: lithium hydroxide / 0.17 h / 20 °C

With aluminum (III) chloride; sodium tetrahydroborate; lithium hydroxide; 2: |Friedel-Crafts Acylation;

DOI:10.1021/acs.orglett.1c02080

upstream raw materials:

dichloroacetophenone-d₅

benzene-d6

ethyl oxo(phenyl-d₅)acetate

Ethylmandelat-

Downstream raw materials:

d₅-methyl mandelate