1-Oxaspiro[2.5]octane-2-carbonyl chloride

Base Information

• Chemical Name: 1-Oxaspiro[2.5]octane-2-carbonyl chloride
• CAS No.: 76527-44-1
• Molecular Formula: C₈H₁₁ClO₂
• Molecular Weight: 174.627
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40503747
• Mol file: 76527-44-1.mol

Synonyms:76527-44-1;1-OXASPIRO[2.5]OCTANE-2-CARBONYL CHLORIDE;DTXSID40503747

Chemical Property of 1-Oxaspiro[2.5]octane-2-carbonyl chloride

Chemical Property:

• PSA: 29.60000
• LogP: 1.85350
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.0447573
• Heavy Atom Count: 11
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CC1)C(O2)C(=O)Cl

Technology Process of 1-Oxaspiro[2.5]octane-2-carbonyl chloride

There total 2 articles about 1-Oxaspiro[2.5]octane-2-carbonyl chloride 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:

oxalyl dichloride (79-37-8) + Sodium; 1-oxa-spiro[2.5]octane-2-carboxylate (25957-47-5) → 1-Oxa-spiro[2.5]octane-2-carbonyl chloride (76527-44-1)

Guidance literature:

With pyridine; In tetrachloromethane; at 0 ℃;

DOI:10.1016/0040-4020(80)80105-0

Reference yield:

Sodium; 1-oxa-spiro[2.5]octane-2-carboxylate (25957-47-5) → 1-Oxa-spiro[2.5]octane-2-carbonyl chloride (76527-44-1)

Guidance literature:

With pyridine; oxalyl dichloride; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1021/jo00186a030

Reference yield:

1-Oxa-spiro[2.5]octane-2-carbonyl chloride (76527-44-1) → Methyl N-(1-methoxy-2-hydroxy-2,2-pentamethyleneethyl)carbamate (89849-17-2)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrazoic acid, pyridine / diethyl ether; benzene / 1 h / -20 to 10 deg C

2: benzene / 1 h / Heating

3: 96 percent / benzene / 3 h / Heating

With pyridine; hydrogen azide; In diethyl ether; benzene;

DOI:10.1021/jo00186a030

upstream raw materials:

oxalyl dichloride

Sodium; 1-oxa-spiro[2.5]octane-2-carboxylate

Downstream raw materials:

2-Diazo-1-(S)-1-oxa-spiro[2.5]oct-2-yl-ethanone

Methyl N-(1-methoxy-2-hydroxy-2,2-pentamethyleneethyl)carbamate