Tabtoxin

Base Information

Chemical Name:Tabtoxin
CAS No.:40957-90-2
Molecular Formula:C₁₁H₁₉N₃O₆
Molecular Weight:289.288
Hs Code.:
UNII:H3YX70R64N
DSSTox Substance ID:DTXSID70961331
Nikkaji Number:J133.842K
Wikipedia:Tabtoxin
Wikidata:Q7673587
ChEMBL ID:CHEMBL3781539
Mol file:40957-90-2.mol

Synonyms:tabtoxin

Suppliers and Price of Tabtoxin

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
TABTOXIN 95.00%
5MG
$ 505.27

Total 2 raw suppliers

Chemical Property of Tabtoxin

Chemical Property:

Vapor Pressure:4.49E-24mmHg at 25°C
Boiling Point:722°Cat760mmHg
Flash Point:390.5°C
Density:1.458g/cm³
XLogP3:-5.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:289.12738533
Heavy Atom Count:20
Complexity:415

Purity/Quality:

97% ^*data from raw suppliers

TABTOXIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(C(=O)O)NC(=O)C(CCC1(CNC1=O)O)N)O
Isomeric SMILES:C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC[C@@]1(CNC1=O)O)N)O

Technology Process of Tabtoxin

There total 9 articles about Tabtoxin 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: 100.0%

: 88853-23-0
O-benzyl-N-<(4S,7S)-6-benzyloxycarbonyl-1-oxo-5-oxa-2,6-diazaspiro<3.5>nonane-7-carbonyl>-L-threonine benzyl ester

: 40957-90-2
tabtoxin

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; for 16h;
DOI:10.1016/S0040-4020(01)88799-8

Reference yield:

: 88818-10-4
(3S*,6S*)-2-benzyloxycarbonyl-6-<(chloroacetamido)methyl>-perhydro-1,2-oxazine-3,6-dicarboxylic acid

: 40957-90-2
tabtoxin

Guidance literature:: Multi-step reaction with 5 steps

1: Et₃N / acetonitrile / 0.5 h / 0 °C

2: 0 deg C, 1 h, 25 deg C, 10 min

3: 50 percent / thiourea / acetonitrile; ethanol / 48 h / 40 °C

4: 30 percent / 2-thiopyridinedisulphide, Ph₃P / acetonitrile / 6 h / Heating

5: 90 percent / H₂ / Pd/C / methanol / 14 h / 25 °C

With 2-thiopyridinedisulphide; hydrogen; triethylamine; thiourea; triphenylphosphine; palladium on activated charcoal; In methanol; ethanol; acetonitrile;
DOI:10.1039/c39830001049

Reference yield:

: 88818-14-8
N-<(3S,6S)-6-aminomethyl-2-benzyloxycarbonyl-6-carboxyperhydro-1,2-oxazine-3-carbonyl>-O-benzyl-L-threonine benzyl ester

: 40957-90-2
tabtoxin

Guidance literature:: Multi-step reaction with 2 steps

1: 30 percent / 2-thiopyridinedisulphide, Ph₃P / acetonitrile / 6 h / Heating

2: 90 percent / H₂ / Pd/C / methanol / 14 h / 25 °C

With 2-thiopyridinedisulphide; hydrogen; triphenylphosphine; palladium on activated charcoal; In methanol; acetonitrile;
DOI:10.1039/c39830001049