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heptabarb

CAS No.
509-86-4
Chemical Name:
heptabarb
Synonyms
heptabarbital;Noctyn;Medomin;Medomine;Heptamal;heptabarb;Heptadorm;heptabarbitone;Cycloheptenylethylbarbituric acid;5-Ethyl-5-cycloheptenylbarbituric acid
CBNumber:
CB4885524
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.29
MDL Number:
MOL File:
509-86-4.mol
MSDS File:
SDS
Last updated:2023-05-04 17:34:39

heptabarb Properties

Melting point 174°
Boiling point 393.43°C (rough estimate)
Density 1.1307 (rough estimate)
refractive index 1.6450 (estimate)
solubility DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:3): 0.25 mg/ml; Ethanol: 10 mg/ml
form A crystalline solid
pka 7.77±0.10(Predicted)
Water Solubility 250.3mg/L(25 ºC)
EWG's Food Scores 1
FDA UNII V10R70ML23
ATC code N05CA11

SAFETY

Risk and Safety Statements

RIDADR  3249
HazardClass  6.1(b)
PackingGroup  III

heptabarb price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Cayman Chemical 32706 Heptabarbital ≥98% 509-86-4 1mg $90 2026-04-30 Buy
Cayman Chemical 32706 Heptabarbital ≥98% 509-86-4 5mg $392 2026-04-30 Buy
ChemScene CS-0017578 Heptabarbital 509-86-4 1mg $283 2026-06-04 Buy
ChemScene CS-0017578 Heptabarbital 509-86-4 5mg $848 2026-06-04 Buy
Usbiological 451753 Heptabarb 509-86-4 2mg $360 2021-12-16 Buy
Product number Packaging Price Buy
32706 1mg $90 Buy
32706 5mg $392 Buy
CS-0017578 1mg $283 Buy
CS-0017578 5mg $848 Buy
451753 2mg $360 Buy

heptabarb Chemical Properties,Uses,Production

Chemical Properties

White, crystalline powder; odorless; slightly bitter taste.Very sparingly soluble in water; slightly soluble in alcohol; soluble in alkaline solutions. Forms water-soluble sodium, magnesium, and calcium salts.

Originator

Medomine,Ciba Geigy,France,1948

Uses

Medicine (sedative).

Definition

ChEBI: Heptabarbital is a member of barbiturates.

Manufacturing Process

112 g of cycloheptanone (suberone) are mixed with 130 g of cyanoacetic acid methyl ester, 2 g of piperidine are added, and the mixture is heated on the water bath at 60°C for several hours until no more water separates from the reaction mixture. The water layer is removed, and the remainder is subjected to distillation in vacuo. The fraction distilling at 160°C to 175°C under a pressure of 20 mm is collected separately; it consists of cycloheptenylcyanoacetic acid methyl ester. The first fractions can be subjected to a fresh condensing reaction after addition of more piperidine.
The cycloheptenyl-cyanoacetic acid methyl ester so obtained is a colorless liquid boiling at 174°C under a pressure of 20 mm.
Into this compound, an ethyl radical is introduced at the same C-atom to which the cycloheptenyl radical is connected. This is done, for example, in the following way:
19.3 g of the above ester are added to a solution of 2.3 g of sodium in 40 cc of absolute ethyl alcohol. To this mixture, 13.0 g of ethyl bromide are gradually added while cooling, and the reaction mixture is heated under reflux on a water bath until it has become neutral. The mixture is then taken up in water, the aqueous layer is separated and the cycloheptenyl-ethyl-cyanoacetic acid methyl ester so formed distills at 169°C to 170°C under a pressure of 20 mm.
22.1 g of this latter substance are dissolved in a solution of 4.6 g of sodium in 100 cc of absolute ethyl alcohol. 12 g of urea are further added thereto, and the whole solution is heated to about 80°C for about eight hours. The alcohol is then distilled off in vacuo, the residue is dissolved in cold water, and from this solution, C-C-cycloheptenyl-ethyl barbituric acid is obtained by saponification with diluted hydrochloric acid. The crude product is recrystallized from diluted ethyl alcohol and forms colorless needles of faintly bitter taste and melting point 174°C.
The sodium salt of this acid may be prepared by dissolving 2.5 g of the acid in a solution of 0.23 g of sodium in 20 cc of ethyl alcohol, and the salt forms, after evaporating the alcohol, a colorless, water-soluble powder.

brand name

Medapan;Medomina.

Therapeutic Function

Hypnotic, Sedative

heptabarb Preparation Products And Raw materials

heptabarb Suppliers

Global( 7)Suppliers
Supplier Tel Email Country ProdList Advantage
TargetMol 400-821-0310 15002144251 xuexiang.shao@tsbiochem.com China 29128 58
Shaanxi Didu New Materials Co. Ltd +86-86-17392712779 +86-13289823923 1090@dideu.com China 8651 58
Hangzhou MolCore BioPharmatech Co.,Ltd. +86-057181025280; +8617767106207 sales@molcore.com China 49709 58
heptabarb Heptamal heptabarbitone Heptadorm Medomin Medomine Noctyn 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl- (9ci) 5-(1-Cyclohepten-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(1-Cyclohepten-1-yl)-5-ethylbarbituric acid 5-(1-Cycloheptenyl)-5-ethylbarbitursaeure 5-Ethyl-5-(1'-cycloheptenyl)-barbituric acid 5-Ethyl-5-cycloheptenylbarbituric acid Barbituric acid, 5-(1-cyclohepten-1-yl)-5-ethyl- Cycloheptenylethylbarbituric acid 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl- heptabarbital 509-86-4