N-Cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)butanamide

Base Information

Chemical Name:N-Cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)butanamide
CAS No.:80463-72-5
Molecular Formula:C₁₄H₂₅N₅OS
Molecular Weight:311.451
Hs Code.:
DSSTox Substance ID:DTXSID90230339
Wikidata:Q83110841

Synonyms:N-Cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)butanamide;80463-72-5;Butanamide, N-cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-;N-Ethyl-N-cyclohexyl-4-(1-methyl-1,2,3,4-tetrazol-5-yl)thiobutyramide;SCHEMBL10678010;DTXSID90230339;LS-45447

Suppliers and Price of N-Cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)butanamide

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
N-CYCLOHEXYL-N-ETHYL-4-((1-METHYL-1H-TETRAZOL-5-YL)THIO)BUTANAMIDE 95.00%
5MG
$ 495.95

Total 0 raw suppliers

Chemical Property of N-Cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)butanamide

Chemical Property:

Vapor Pressure:3.55E-10mmHg at 25°C
Boiling Point:501.2°Cat760mmHg
PKA:0.69±0.10(Predicted)
Flash Point:256.9°C
PSA：89.21000
Density:1.26g/cm³
LogP:2.26360
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:311.17798161
Heavy Atom Count:21
Complexity:325

Purity/Quality:: N-CYCLOHEXYL-N-ETHYL-4-((1-METHYL-1H-TETRAZOL-5-YL)THIO)BUTANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCN(C1CCCCC1)C(=O)CCCSC2=NN=NN2C

Technology Process of N-Cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)butanamide

There total 3 articles about N-Cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)butanamide 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:

: 80086-15-3
methyl 4-(1-methyl-1H-tetrazol-5-ylthio)butyrate

: 80463-72-5
N-cyclohexyl-N-ethyl-4-<(1-methyl-5-tetrazolyl)thio>butyramide

Guidance literature:: Multi-step reaction with 2 steps

1: 20percent HCl / 2 h / Heating

2: 1.) isobutyl chloroformate, Et₃N / 1.) THF, RT; 2.) THF, RT

With hydrogenchloride; triethylamine; isobutyl chloroformate;
DOI:10.1248/cpb.37.322

Reference yield:

: 5459-93-8
N-ethyl-cyclohexanamine

: 80085-65-0
4-(1-methyl-1,2,3,4-tetrazol-5-yl)thio-butyric acid

: 80463-72-5
N-cyclohexyl-N-ethyl-4-<(1-methyl-5-tetrazolyl)thio>butyramide

Guidance literature:: With triethylamine; isobutyl chloroformate; Yield given. Multistep reaction; 1.) THF, RT; 2.) THF, RT;
DOI:10.1248/cpb.37.322