Isatinecine

Base Information

Chemical Name:Isatinecine
CAS No.:6870-33-3
Molecular Formula:C₁₅H₁₇NO₄
Molecular Weight:275.304
Hs Code.:
UNII:40VJD3FNDD
Wikidata:Q27896803
Mol file:6870-33-3.mol

Synonyms:Isatinecine;Retronecine oxide;40VJD3FNDD;RETRONECINE N-OXIDE;(1R,4S,7AR)-1-hydroxy-7-(hydroxymethyl)-2,3,5,7a-tetrahydropyrrolizine 4(1H)-oxide;6870-33-3;UNII-40VJD3FNDD;AKOS040760671;Q27896803;1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-hydroxy-, 4-oxide, (1R-trans)-;1H-PYRROLIZINE-7-METHANOL, 2,3,5,7A-TETRAHYDRO-1-HYDROXY-, 4-OXIDE, (1R,4S,7AR)-

Suppliers and Price of Isatinecine

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

Total 6 raw suppliers

Chemical Property of Isatinecine

Chemical Property:

PSA：139.78000
LogP:-1.34940
XLogP3:-1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.08954328
Heavy Atom Count:12
Complexity:228

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C[N+]2(CC=C(C2C1O)CO)[O-]
Isomeric SMILES:C1C[N@@+]2(CC=C([C@@H]2[C@@H]1O)CO)[O-]

Technology Process of Isatinecine

There total 3 articles about Isatinecine 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:

: 95363-37-4
9-O-Benzoylretronecine

: 6870-33-3
Benzoic acid (7R,7aR)-7-hydroxy-4-oxy-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethyl ester

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In chloroform; for 0.333333h; Ambient temperature;
DOI:10.1021/jm00383a001

Reference yield:

: 65-85-0,8013-63-6
benzoic acid

: 6870-33-3
Benzoic acid (7R,7aR)-7-hydroxy-4-oxy-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) N,N'-carbonyldiimidazole (CDI) / 1.) THF, RT, 1 h, 2.) THF, RT, 16 h

2: m-chloroperbenzoic acid / CHCl₃ / 0.33 h / Ambient temperature

With 3-chloro-benzenecarboperoxoic acid; 1,1'-carbonyldiimidazole; In chloroform;
DOI:10.1021/jm00383a001

Reference yield:

: 480-85-3
retronecine

: 6870-33-3
Benzoic acid (7R,7aR)-7-hydroxy-4-oxy-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) N,N'-carbonyldiimidazole (CDI) / 1.) THF, RT, 1 h, 2.) THF, RT, 16 h

2: m-chloroperbenzoic acid / CHCl₃ / 0.33 h / Ambient temperature

With 3-chloro-benzenecarboperoxoic acid; 1,1'-carbonyldiimidazole; In chloroform;
DOI:10.1021/jm00383a001