88753-40-6

Basic information

• Product Name: 1,3-Butanediol, 4-(phenylmethoxy)-, 1-benzoate 3-methanesulfonate
• CAS NO: 88753-40-6
• Molecular Formula: C19H22O6S
• Molecular Weight: 378.446
• Mol File: 88753-40-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1,3-Butanediol, 4-(phenylmethoxy)-, 1-benzoate 3-methanesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Butanediol, 4-(phenylmethoxy)-, 1-benzoate 3-methanesulfonate(88753-40-6)
• EPA Substance Registry System: 1,3-Butanediol, 4-(phenylmethoxy)-, 1-benzoate 3-methanesulfonate(88753-40-6)

Safety Data

• Hazardous Substances Data: 88753-40-6(Hazardous Substances Data)

Usage

Chemical structure

A derivative of 1,3-butanediol with 4-(phenylmethoxy)and 1-benzoate 3-methanesulfonate groups added to the molecule.

Potential applications

Pharmaceutical industry, specifically in drug formulation or development.

Parent compound

1,3-butanediol, which is used as a solvent and in the production of plastics and other industrial materials.

Chemical modification

The compound may undergo further chemical modification to create novel drug candidates or act as an intermediate in the synthesis of pharmaceutical ingredients.

Investigation and evaluation

Its precise role and potential therapeutic applications would require further investigation and evaluation.

Functional groups

Contains phenylmethoxy, benzoate, and methanesulfonate groups, which may impart specific properties or functions for use in the pharmaceutical industry.

Solubility

The solubility of this compound is not explicitly mentioned in the provided material, but it may be inferred that it could be soluble in organic solvents due to its structural similarity to 1,3-butanediol.

Stability

The stability of the compound is not mentioned in the material, but it may be influenced by the presence of the phenylmethoxy, benzoate, and methanesulfonate groups.

Reactivity

The reactivity of the compound is not discussed in the material, but the presence of the functional groups may suggest potential reactivity with other compounds in chemical reactions.

Safety and handling

The safety and handling requirements for this compound are not provided in the material, but it is essential to consider the potential hazards and follow appropriate safety protocols when working with any chemical compound.

Upstream product

• 85418-23-1 (S)-1-O-benzyl-1,2,4-butanetriol 
• 88753-37-1 Benzoic acid (S)-4-benzyloxy-3-hydroxy-butyl ester 
• 124-63-0 methanesulfonyl chloride 

Downstream Products

• 88753-46-2 Benzoic acid (R)-3-acetoxy-1-benzyloxymethyl-propyl ester 
• 88753-43-9 Benzoic acid (R)-3-acetoxy-4-benzyloxy-butyl ester 
• 81096-93-7 (R)-1-O-benzyl-1,2,4-butanetriol 

Relevant articles and documents

NUCLEOPHILIC DISPLACEMENT REACTIONS OF THE METHANESULFONATES OF THE 1-O-BENZOYL-1,2-, -1,3-, AND -1,4-GLYCOLS

Nucleophilic displacement reactions of the methanesulfonates (8a-c) of the 1-O-benzoyl-1,2-, -1,3-, and -1,4-glycols (7a-c) with potassium acetate in boiling acetic anhydride have been examined.Both benzoyloxy-group participation pathway (path A) and SN2 displacement pathway (path B) have been involved in the 1,2-(8a)- and 1,3-(8b)-substrates to give a mixture of the primary (10a,b) and the secondary (11a,b) acetates with complete inversion of chiralities.On the other hand, only SN2 displacement pathway (path B) has been involved in the 1,4-substrate (8c) to give the secondary acetate (11c) with inversion of the chirality.