2-HYDROXYBENZOIC-3,4,5,6-D4 ACID

Base Information

• Chemical Name: 2-HYDROXYBENZOIC-3,4,5,6-D4 ACID
• CAS No.: 78646-17-0
• Molecular Formula: C7H2D4O3
• Molecular Weight: 142.091
• Mol file: 78646-17-0.mol

Synonyms:2-HYDROXYBENZOIC-3,4,5,6-D4 ACID;SALICYLIC ACID-D4;2-Hydroxybenzoic Acid-d4;2-Carboxyphenol-d4;2-Hydroxybenzenecarboxylic Acid-d4;2-Hydroxybenzoic-d4 Acid

Chemical Property of 2-HYDROXYBENZOIC-3,4,5,6-D4 ACID

Chemical Property:

• Appearance/Colour: White Solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 155-158 °C
• Refractive Index: 1.616
• Boiling Point: 336.28 °C at 760 mmHg
• Flash Point: 144.486 °C
• PSA: 57.53000
• Density: 1.416 g/cm³
• LogP: 1.09040
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Sparingly), Methanol (Slightly)

Purity/Quality:

99%, ^*data from raw suppliers

Salicylic Acid-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Labelled Salicylic acid (S088125). Salicylic Acid is an impurity of Acetylsalicylic Acid (A187780). Labelled Acetylsalicylic acid Impurity B. Labelled Salicylic acid (S088125). Salicylic Acid is an impurity of Acetylsalicylic Acid (A187780). Labelled Acetylsalicylic Acid EP Impurity C.

Technology Process of 2-HYDROXYBENZOIC-3,4,5,6-D4 ACID

There total 2 articles about 2-HYDROXYBENZOIC-3,4,5,6-D4 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: 99.0%

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 3,4,5,6-tetradeuterosalicylic acid (78646-17-0)

Guidance literature:

With 10% Pt/activated carbon; water-d2; In isopropyl alcohol; at 20 ℃; for 24h; Reagent/catalyst; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.oprd.8b00383

Reference yield:

2-acetoxy<3,4,5,6-(2)H>benzoic acid (97781-16-3) → <3,4,5-D3>-salicylic acid (126711-96-4) + 3,4,5,6-tetradeuterosalicylic acid (78646-17-0)

Guidance literature:

With sodium hydrogencarbonate; for 48h; Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1002/jps.2600740217

Reference yield: 90.0%

acetic anhydride (108-24-7) + 3,4,5,6-tetradeuterosalicylic acid (78646-17-0) → 2-acetoxy<3,4,5,6-(2)H>benzoic acid (97781-16-3)

Guidance literature:

With sodium acetate; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1246/BCSJ.20200325

upstream raw materials:

2-acetoxy<3,4,5,6-(2)H>benzoic acid

salicylic acid

Downstream raw materials:

2-acetoxy<3,4,5,6-(2)H>benzoic acid

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