Azacyclotridecan-2-one

Azacyclotridecan-2-one
  • CAS No.:947-04-6

Important Notice

  1. This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
  2. This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
  3. The purchaser must not use this product, or supply it to another party, for personal consumption, sports or fitness, weight loss, health supplements, food, or animal feed.
Other grades of this product :
Azacyclotridecan-2-one Basic information
Product Name:Azacyclotridecan-2-one
Synonyms:12-amino-dodecanoicacilactam;1-Aza-2-cyclotridecanone;2-Oxo-dodecamethylenimine;Aza-cyclotridecan-2-on;Azacyclotridecan-2-one;Cyclododecalactam;Dodecalactam;Dodecanoic acid, 12-amino-, lactam
CAS:947-04-6
MF:C12H23NO
MW:197.32
EINECS:213-424-8
Product Categories:Organics;Building Blocks;Carbonyl Compounds;Chemical Synthesis;Lactams;Organic Building Blocks
Mol File:947-04-6.mol
Azacyclotridecan-2-one Chemical Properties
Melting point 150-153 °C(lit.)
Boiling point 334.44°C (rough estimate)
density 0.9415 (rough estimate)
vapor pressure 0.001Pa at 20℃
refractive index 1.4400 (estimate)
Fp 195 °C
pka16.91±0.20(Predicted)
form powder to crystal
color White to Almost white
Water Solubility 223mg/L at 20℃
BRN 122031
LogP2.71 at 20℃
EPA Substance Registry SystemAzacyclotridecan-2-one (947-04-6)
Safety Information
RIDADR 3257
WGK Germany 1
RTECS CL6940000
HazardClass IRRITANT
Hazardous Substances Data947-04-6(Hazardous Substances Data)
MSDS Information
ProviderLanguage
SigmaAldrich English
Azacyclotridecan-2-one Usage And Synthesis
Chemical PropertiesDry PowderSolid; very faintly beige crystalline lumps. Virtually insol in water.
PreparationOne route to dodecyllactam is from butadiene as follows: Butadiene is trimerized with a Ziegler-Natta catalyst to give 1,5,9-cyclododecatriene which is then hydrogenated to cyclododecane. Dodecyllactam is then obtained by a series of reactions similar to those used to prepare caprolactam from cyclohexane.
Health HazardThe acute oral LD50 was 2,330 mg/kg bw (rat) with central nervous system stimulation (trembling, convulsive twitches, ataxia) as the main clinical sign appearing at about 1,580 mg/kg bw. The dermal LD50 was greater than 2,000 mg/kg bw (rat). Decreased food consumption and stagnation of body weight development were noted. Validacute inhalation studies are not available. Azacyclotridecan-2-one was not irritating to the rabbit skin or eye (OECD TG 404, 405). It was not sensitizing in aguinea pig maximization test (OECD TG 406; 1981).
Purification MethodsAzacyclotridecan-2-one crystallises from CHCl3 and is stored over P2O5 in a vacuum desiccator. [Beilstein 26/1 V 566.]
Azacyclotridecan-2-one Preparation Products And Raw materials
Raw materialsDodecanoic acid, 12-amino-, methyl ester
Preparation Products12-AMINODODECANOIC ACID

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