2123-24-2

Basic information

• Product Name: hexahydro-2H-azepin-2-one, sodium salt
• Synonyms: hexahydro-2H-azepin-2-one, sodium salt;Caprolactam, sodium salt;Sodium caprolactamate;Hexahydro-2H-azepin-2-on, Natriumsalz;2H-Azepin-2-one, hexahydro-, sodium salt;2H-Azepin-2-one,hexahydro-,sodium salt;hexahydro-2h-azepin-2-on sodium salt;Sodium caprolactam
• CAS NO: 2123-24-2
• Molecular Formula: C₆H₁₀NO*Na
• Molecular Weight: 135.13947
• EINECS: 218-336-3
• Mol File: 2123-24-2.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• Density: 1.244[at 20℃]
• Vapor Pressure: 0.11Pa at 20℃
• Water Solubility: 880g/L at 20℃
• CAS DataBase Reference: hexahydro-2H-azepin-2-one, sodium salt(CAS DataBase Reference)
• NIST Chemistry Reference: hexahydro-2H-azepin-2-one, sodium salt(2123-24-2)
• EPA Substance Registry System: hexahydro-2H-azepin-2-one, sodium salt(2123-24-2)

Safety Data

• Hazardous Substances Data: 2123-24-2(Hazardous Substances Data)

Usage

Flammability and Explosibility

Nonflammable

InChI:InChI=1/C6H11NO.Na/c8-6-4-2-1-3-5-7-6;/h1-5H2,(H,7,8);/q;+1

Synthetic route

caprolactam (105-60-2) → caprolactam sodium salt (2123-24-2)

Conditions	Yield
With sodium methylate In methanol at 47 - 110℃; under 150.015 Torr; Product distribution / selectivity; Inert atmosphere; Industry scale;
With sodium methylate In methanol; benzene at 90℃; for 2h; Temperature;
With sodium hydroxide at 130 - 140℃; under 750.075 Torr; for 0.666667h;

caprolactam sodium salt (2123-24-2) + dimethylchloromethylphosphine oxide (1638-75-1) → 1-(Dimethyl-phosphinoylmethyl)-azepan-2-one

Conditions	Yield
In xylene for 10h; Heating;	97%

(3-chloropropyl)triethoxysilane (5089-70-3) + caprolactam sodium salt (2123-24-2) → C15H31NO4Si

Conditions	Yield
With benzyltrimethylammonium chloride In N,N-dimethyl acetamide at 150℃; for 1h; Temperature; Solvent; Reagent/catalyst;	96%

caprolactam (105-60-2) + caprolactam sodium salt (2123-24-2) → 1-[(2-oxoazepan-1-yl)disulfanyl]azepan-2-one (23847-08-7)

Conditions	Yield
With disulfur dichloride In mineral oil at 35℃; for 4.5h; Temperature;	92.47%

1,5-dibromo-pentane (111-24-0) + caprolactam sodium salt (2123-24-2) + methyl salicylate (119-36-8) → 1-[5-(2-methoxycarbonylphenoxy) pentyl] azacycloheptane-2-one

Conditions	Yield
In toluene

Upstream product

• 105-60-2 caprolactam 

Downstream Products

• 23847-08-7 1-[(2-oxoazepan-1-yl)disulfanyl]azepan-2-one 

Relevant articles and documents

Synthetic method of 1,1'-dicaprolactam disulfide

The invention discloses a synthetic method of 1,1'-dicaprolactam disulfide. Caprolactam is used as an initiator, and sulfur monochloride and caprolactam inorganic salt are used as raw materials. Sulfur monochloride firstly reacts with caprolactam to form 1,1'-dicaprolactam disulfide and acid; caprolactam inorganic salt is continuously converted to caprolactam under the action of the acid formed bythe reaction; and caprolactam continuously reacts with sulfur monochloride to form 1,1'-dicaprolactam disulfide. According to the method, there is no need to add other types of acid-binding agents, and the raw material caprolactam can be synthesized by itself in the reaction process. The production technology is simple, has strong operationality and simple post-treatment, and has industrial application value. The product is white solid powder in the appearance, and the yield is 88% and above, the purity is 99% and above. The product meets the use requirements.

METHOD FOR PRODUCING LACTAMATES BY WAY OF THIN FILM EVAPORATION

A method is described for producing lactamates by reacting alcoholates with lactams, wherein a reaction mixture comprising at least one alcoholate and at least one lactam is subjected to thin film evaporation.