Propanoic acid, 2,2-dimethyl-, 2-(chloroamino)-2-methylpropyl ester

Base Information

• Chemical Name: Propanoic acid, 2,2-dimethyl-, 2-(chloroamino)-2-methylpropyl ester
• CAS No.: 61542-20-9
• Molecular Formula: C9H18ClNO2
• Molecular Weight: 207.6977
• DSSTox Substance ID: DTXSID30210534
• Wikidata: Q83085271

Synonyms:Propanoic acid, 2,2-dimethyl-, 2-(chloroamino)-2-methylpropyl ester;61542-20-9;SCHEMBL11559293;DTXSID30210534

Chemical Property of Propanoic acid, 2,2-dimethyl-, 2-(chloroamino)-2-methylpropyl ester

Chemical Property:

• Vapor Pressure: 0.0236mmHg at 25°C
• Boiling Point: 248.9°C at 760 mmHg
• Flash Point: 104.3°C
• Density: 1.033g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 207.1026065
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OCC(C)(C)NCl

Technology Process of Propanoic acid, 2,2-dimethyl-, 2-(chloroamino)-2-methylpropyl ester

There total 3 articles about Propanoic acid, 2,2-dimethyl-, 2-(chloroamino)-2-methylpropyl ester 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:

2-tert-butyl-4,4-dimethyl-4,5-dihydrooxazole (90949-59-0) → 2-N-Chloroamino-2-methyl-1-propyl, 2,2-dimethylpropionate (61542-20-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCl / tetrahydrofuran

2: NaOCl

With hydrogenchloride; sodium hypochlorite; In tetrahydrofuran;

DOI:10.1002/jps.2600651210

Reference yield:

2-Amino-2-methyl-1-propyl-2,2-Dimethylpropanoat (687608-82-8) → 2-N-Chloroamino-2-methyl-1-propyl, 2,2-dimethylpropionate (61542-20-9)

Guidance literature:

With sodium hypochlorite;

DOI:10.1002/jps.2600651210

Reference yield:

→ 2-N-Chloroamino-2-methyl-1-propyl, 2,2-dimethylpropionate (61542-20-9)

Guidance literature:

upstream raw materials:

2-Amino-2-methyl-1-propyl-2,2-Dimethylpropanoat

2-tert-butyl-4,4-dimethyl-4,5-dihydrooxazole

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