Dehydromonocrotaline

Base Information

Chemical Name:Dehydromonocrotaline
CAS No.:23291-96-5
Molecular Formula:C₁₆H₂₁NO₆
Molecular Weight:323.346
Hs Code.:
UNII:1HW8C6SVG7
DSSTox Substance ID:DTXSID80177860
Nikkaji Number:J54.265B
Mol file:23291-96-5.mol

Synonyms:dehydromonocrotaline;monocrotaline pyrrole

Suppliers and Price of Dehydromonocrotaline

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

TRC
DehydroMonocrotaline,90%
50mg
$ 3450.00

American Custom Chemicals Corporation
DEHYDROMONO CROTALINE 95.00%
50MG
$ 1732.50

Total 11 raw suppliers

Chemical Property of Dehydromonocrotaline

Chemical Property:

Vapor Pressure:3.06E-13mmHg at 25°C
Melting Point:30-33°C
Refractive Index:1.5500 (estimate)
Boiling Point:557°Cat760mmHg
PKA:12.22±0.60(Predicted)
Flash Point:290.6°C
PSA：97.99000
Density:1.43g/cm³
LogP:0.67100
Storage Temp.:-86°C Freezer, Under Inert Atmosphere
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:0
Exact Mass:323.13688739
Heavy Atom Count:23
Complexity:525

Purity/Quality:

99% ^*data from raw suppliers

DehydroMonocrotaline,90% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(=O)OC2CCN3C2=C(COC(=O)C(C1(C)O)(C)O)C=C3
Isomeric SMILES:C[C@H]1C(=O)O[C@@H]2CCN3C2=C(COC(=O)[C@]([C@]1(C)O)(C)O)C=C3
Uses A metabolite of the potent hepatotoxin Monocrotaline.

Technology Process of Dehydromonocrotaline

There total 5 articles about Dehydromonocrotaline 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: 80.0%

: 50-89-5,28854-96-8,3545-96-8,50-88-4
thymidine

: 26543-09-9
Monocrotalic acid

: 23291-96-5
monocrotaline pyrrole

: 133787-49-2
1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-(7-methoxy-6,7-dihydro-5H-pyrrolizin-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione

: 1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-(7-hydroxymethyl-2,3-dihydro-1H-pyrrolizin-1-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione

Guidance literature:: With sodium hydrogencarbonate; In methanol; at 25 ℃; for 5h; Yields of byproduct given;
DOI:10.1016/S0040-4039(00)92122-1

Reference yield:

: 315-22-0
monocrotaline

: 23291-96-5
monocrotaline pyrrole

Guidance literature:: monocrotaline; With chloranil; In chloroform; at 20 ℃;

With sodium tetrahydroborate; potassium hydroxide; In chloroform;
DOI:10.1016/j.cbi.2009.10.001

Reference yield:

: 315-22-0,83114-75-4,109525-74-8,146143-26-2
monocrotaline

: 23291-96-5
monocrotaline pyrrole

Guidance literature:: With dihydrogen peroxide; acetic anhydride; Multistep reaction; 1.) methanol, 2.) CHCl₃, 30 min;
DOI:10.1021/jo00226a027