(S)-Hexobarbital

Base Information

Chemical Name:(S)-Hexobarbital
CAS No.:7245-06-9
Molecular Formula:C₁₂H₁₆N₂O₃
Molecular Weight:236.271
Hs Code.:
Nikkaji Number:J413.639J

Synonyms:(S)-Hexobarbital;(+)-Hexobarbital;(-)-Hexobarbital;(+)-Hexobarbitone;SCHEMBL59121;5-(1-Cyclohex-en-1-yl)-1,5-dimethylbarbituric acid;5-(1-Cyclohexene-1-yl)-1,5-dimethylbarbituric acid;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, (R)-;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, (S)-;7245-04-7;7245-06-9

Suppliers and Price of (S)-Hexobarbital

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of (S)-Hexobarbital

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:236.11609238
Heavy Atom Count:17
Complexity:428

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2
Isomeric SMILES:C[C@@]1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2

Technology Process of (S)-Hexobarbital

There total 10 articles about (S)-Hexobarbital 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:

: 67105-42-4
Methylcyclohexenylcyanoacetic acid ethyl ester

: 598-50-5
N-Methylurea

: 7200-11-5,7245-04-7,7245-06-9,56-29-1
hexabarbital

Guidance literature:: Methylcyclohexenylcyanoacetic acid ethyl ester; N-Methylurea; With potassium tert-butylate; In tert-butyl alcohol; at 20 - 50 ℃; Inert atmosphere;

With hydrogenchloride; In ethanol; water; for 3h; Reflux;

Reference yield:

: 5-(cyclohex-1-en-1-yl)-6-imino-3,5-dimethyldihydropyrimidine-2,4(1H,3H)-dione

: 7200-11-5,7245-04-7,7245-06-9,56-29-1
hexabarbital

Guidance literature:: With hydrogenchloride; water; In ethanol; for 3h; Reflux;
DOI:10.1021/jacs.1c06335

Reference yield:

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 7200-11-5,7245-04-7,7245-06-9,56-29-1
hexabarbital

Guidance literature:: Multi-step reaction with 3 steps

1.1: rac-Pro-OH / ethanol / 7 h / 75 °C

2.1: potassium tert-butylate / tetrahydrofuran; N,N-dimethyl-formamide / 0.02 h / Inert atmosphere

2.2: 3 h / 20 °C / Inert atmosphere

3.1: potassium tert-butylate / tert-butyl alcohol / 20 - 50 °C / Inert atmosphere

3.2: 3 h / Reflux

With potassium tert-butylate; rac-Pro-OH; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide; tert-butyl alcohol;