(13Z)-13-hydroxyimino-oxacyclohexadecan-2-one

Base Information

• Chemical Name: (13Z)-13-hydroxyimino-oxacyclohexadecan-2-one
• CAS No.: 38538-07-7
• Molecular Formula: C15H27 N O3
• Molecular Weight: 269.384
• Hs Code.: 2932209090
• European Community (EC) Number: 253-990-3
• NSC Number: 242987
• Mol file: 38538-07-7.mol

Synonyms:Oxacyclohexadecane-2,13-dione 13-oxime;NSC242987;SCHEMBL9351257;NSC-242987

Chemical Property of (13Z)-13-hydroxyimino-oxacyclohexadecan-2-one

Chemical Property:

• Vapor Pressure: 6.59E-10mmHg at 25°C
• Boiling Point: 464.3°Cat760mmHg
• Flash Point: 234.6°C
• PSA: 58.89000
• Density: 1.07g/cm³
• LogP: 4.05460
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 269.19909372
• Heavy Atom Count: 19
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

OXACYCLOHEXADECANE-2,13-DIONE 13-OXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC(=O)OCCCC(=NO)CCCC1
• Isomeric SMILES: C1CCCCCC(=O)OCCC/C(=N\O)/CCCC1

Technology Process of (13Z)-13-hydroxyimino-oxacyclohexadecan-2-one

There total 3 articles about (13Z)-13-hydroxyimino-oxacyclohexadecan-2-one 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: 93.0%

12-oxo-15-pentadecanolide (38223-29-9) → 12-Oximino-pentadecanolide (38538-07-7)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In methanol; water; for 4h; Reflux;

DOI:10.1021/jf072733+

Reference yield: 31.0%

3,4,6,7,8,9,10,11,12,13,14,15-Dodecahydro-2H-cyclododecapyran (32539-83-6) → 12-Oximino-pentadecanolide (38538-07-7)

Guidance literature:

With hydrogenchloride; n-Butyl nitrite; 1.) ethanol, ice temp., 1 h, 2.) room temp., 18 h;

DOI:10.1055/s-1980-28929

Reference yield:

→ 12-Oximino-pentadecanolide (38538-07-7)

Guidance literature:

2-Oxa-bicyclo<10.4.0>hexadec-1⁽⁶⁾-en, n-Butylnitrit;

DOI:10.1039/C3972001078a

upstream raw materials:

3,4,6,7,8,9,10,11,12,13,14,15-Dodecahydro-2H-cyclododecapyran

12-oxo-15-pentadecanolide

Downstream raw materials:

pentadecanolide

C₂₃H₃₂ClNO₅

C₂₃H₃₂ClNO₅

C₂₃H₃₂ClNO₅

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