323178-30-9

Basic information

• Product Name: 1,2,7-THIADIAZEPINE-2(3H)-ACETIC ACID, 6,7-DIHYDRO-ALPHA-(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
• Synonyms: 1,2,7-THIADIAZEPINE-2(3H)-ACETIC ACID, 6,7-DIHYDRO-ALPHA-(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)
• CAS NO: 323178-30-9
• Molecular Formula: C₁₄H₁₈N₂O₄S
• Molecular Weight: 310.37
• Mol File: 323178-30-9.mol

Chemical Properties

• Boiling Point: 465.4±55.0 °C(Predicted)
• Appearance: /
• Density: 1.272±0.06 g/cm3(Predicted)
• PKA: 11.11±0.20(Predicted)
• CAS DataBase Reference: 1,2,7-THIADIAZEPINE-2(3H)-ACETIC ACID, 6,7-DIHYDRO-ALPHA-(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,7-THIADIAZEPINE-2(3H)-ACETIC ACID, 6,7-DIHYDRO-ALPHA-(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)(323178-30-9)
• EPA Substance Registry System: 1,2,7-THIADIAZEPINE-2(3H)-ACETIC ACID, 6,7-DIHYDRO-ALPHA-(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS)(323178-30-9)

Safety Data

• Hazardous Substances Data: 323178-30-9(Hazardous Substances Data)

Usage

Chemical class

Thiadiazepine

Explanation

Thiadiazepines are a class of heterocyclic compounds with a sulfur atom in the seven-membered diazepine ring.

Explanation

The core structure of the compound is a 1,2,7-thiadiazepine ring, which is a type of diazepine with a sulfur atom.

Explanation

The compound has a methyl ester functional group, which is an ester derived from methanol, and a 1,1-dioxide functional group, which is an oxide with two oxygen atoms.

Explanation

The alpha-phenylmethyl group is attached to the thiadiazepine ring, providing additional structural complexity and potential for pharmacological or biological activity.

Explanation

The compound has a specific stereochemistry, denoted as (alphas), which refers to the spatial arrangement of the atoms in the molecule.

Explanation

Due to its complex structure and the presence of various functional groups, 1,2,7-THIADIAZEPINE-2(3H)-ACETIC ACID, 6,7-DIHYDRO-ALPHA-(PHENYLMETHYL)-, METHYL ESTER, 1,1-DIOXIDE, (ALPHAS) may have potential pharmacological or biological activities. It could be used in medicinal chemistry for synthesizing novel drug candidates or as a research tool in the study of thiadiazepine-containing compounds.

Explanation

As a thiadiazepine, the compound is a heterocyclic compound, which means it contains a ring of atoms with at least one sulfur atom in the ring. This contributes to its unique chemical properties and potential applications.

Core structure

1,2,7-thiadiazepine

Functional groups

Methyl ester and 1,1-dioxide

Substituent

Alpha-(phenylmethyl) group

Stereochemistry

(alphas)

Potential applications

Medicinal chemistry and drug synthesis

Heterocyclic nature

Contains a sulfur atom

Upstream product

• 104-54-1 3-Phenylpropenol 
• 7524-50-7 methyl (2S)-2-amino-3-phenylpropanoate hydrochloride 
• 106-95-6 allyl bromide 
• 323178-28-5 N,N'-bis(2-propenyl)-N-(tert-butoxycarbonylsulfonyl)-L-phenylalanine methyl ester 
• 139059-69-1 <(S)(+)> methyl -phenylalaninate 
• 323178-29-6 2-(2S)-[(2,3,6,7-tetrahydro-1,2,7-thiadiazepine-1,1-dioxido-7-tert-butyloxycarbonyl-2-yl)]-3-phenylpropionic acid methyl ester 

Relevant articles and documents

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