L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate

Base Information

Chemical Name:L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate
CAS No.:134185-31-2
Molecular Formula:C21H29N3O7S
Molecular Weight:467.5359
Hs Code.:
DSSTox Substance ID:DTXSID90928486
Wikidata:Q76279365

Synonyms:134185-31-2;L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate;DTXSID90928486;C21-H29-N3-O7-S;LS-77595;1,4:3,6-Dianhydro-2-[4-(3-{[4-(carboxymethyl)phenyl]sulfanyl}propyl)piperazin-1-yl]-2-deoxy-5-O-nitrohexitol

Suppliers and Price of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate

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 L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate

Chemical Property:

Vapor Pressure:8.18E-18mmHg at 25°C
Boiling Point:650.6°Cat760mmHg
Flash Point:347.3°C
Density:1.4g/cm³
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:467.17262145
Heavy Atom Count:32
Complexity:635

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN1CCCSC2=CC=C(C=C2)CC(=O)O)C3COC4C3OCC4O[N+](=O)[O-]
Isomeric SMILES:C1CN(CCN1CCCSC2=CC=C(C=C2)CC(=O)O)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-]

Technology Process of L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate

There total 5 articles about L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate 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: 78.0%

: 153884-51-6
(4-{3-[4-((3S,3aR,6S,6aS)-6-Nitrooxy-hexahydro-furo[3,2-b]furan-3-yl)-piperazin-1-yl]-propylsulfanyl}-phenyl)-acetic acid ethyl ester

: 134185-31-2
5-<4-<3-<4-(carboxymethyl)phenylthio>propyl>piperazin-1-yl>-5-deoxy-1,4:3,6-dianhydro-L-iditol 2-nitrate

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; ethanol; for 0.333333h; Ambient temperature;
DOI:10.1248/cpb.41.1091

Reference yield:

: 134186-45-1
5-deoxy-5-(piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol

: 134185-31-2
5-<4-<3-<4-(carboxymethyl)phenylthio>propyl>piperazin-1-yl>-5-deoxy-1,4:3,6-dianhydro-L-iditol 2-nitrate

Guidance literature:: Multi-step reaction with 3 steps

1: 38 percent / aq. H₂SO₄, urea, fuming HNO₃ / 2 h / -15 °C

2: Et₃N / ethanol / 24 h / Heating

3: 78 percent / aq. NaOH / ethanol; tetrahydrofuran / 0.33 h / Ambient temperature

With sodium hydroxide; sulfuric acid; nitric acid; triethylamine; urea; In tetrahydrofuran; ethanol;
DOI:10.1248/cpb.41.1091

Reference yield:

: 81621-06-9
endo-5-O-methanesulfonyl-1,4:3,6-dianhydro-D-sorbitol

: 134185-31-2
5-<4-<3-<4-(carboxymethyl)phenylthio>propyl>piperazin-1-yl>-5-deoxy-1,4:3,6-dianhydro-L-iditol 2-nitrate

Guidance literature:: Multi-step reaction with 4 steps

1: 70 percent / butan-1-ol / 36 h / Heating

2: 38 percent / aq. H₂SO₄, urea, fuming HNO₃ / 2 h / -15 °C

3: Et₃N / ethanol / 24 h / Heating

4: 78 percent / aq. NaOH / ethanol; tetrahydrofuran / 0.33 h / Ambient temperature

With sodium hydroxide; sulfuric acid; nitric acid; triethylamine; urea; In tetrahydrofuran; ethanol; butan-1-ol;
DOI:10.1248/cpb.41.1091