Oxotomaymycin

Base Information

Chemical Name:Oxotomaymycin
CAS No.:35050-54-5
Molecular Formula:C₁₅H₁₆N₂O₄
Molecular Weight:288.303
Hs Code.:
NSC Number:332372
Wikidata:Q105147531
Mol file:35050-54-5.mol

Synonyms:1H-Pyrrolo(2,1-c)(1,4)benzodiazepine-5,11(10H,11aH)-dione, 2-ethylidene-2,3-dihydro-8-hydroxy-7-methoxy-, (S)-;oxotomaymycin

Suppliers and Price of Oxotomaymycin

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
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Total 0 raw suppliers

Chemical Property of Oxotomaymycin

Chemical Property:

Vapor Pressure:1.05E-14mmHg at 25°C
Boiling Point:594°Cat760mmHg
Flash Point:313°C
Density:1.41g/cm³
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:288.11100700
Heavy Atom Count:21
Complexity:490

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=C1CC2C(=O)NC3=CC(=C(C=C3C(=O)N2C1)OC)O
Isomeric SMILES:C/C=C/1\C[C@H]2C(=O)NC3=CC(=C(C=C3C(=O)N2C1)OC)O

Technology Process of Oxotomaymycin

There total 9 articles about Oxotomaymycin 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: 91.0%

: (6aS,8E)-3-benzyloxy-8-ethylidene-2-methoxy-5,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

: 35050-54-5
(E)-oxotomaymycin

Guidance literature:: With methanesulfonic acid; methoxybenzene; In dichloromethane; water; at 20 ℃; for 2h; Reagent/catalyst; Solvent; chemoselective reaction; Inert atmosphere;
DOI:10.1021/acs.oprd.0c00009

Reference yield:

: 1450821-34-7
(S,E)-methyl 4-ethylidenepyrrolidine-2-carboxylate hydrochloride

: 35050-54-5
(E)-oxotomaymycin

Guidance literature:: Multi-step reaction with 3 steps

1: 2-chloro-1-methyl-pyridinium iodide; N-ethyl-N,N-diisopropylamine / 2-methyltetrahydrofuran / 4 h / 20 °C / Inert atmosphere

2: acetic acid; hydrogenchloride; titanium(III) chloride / 2-methyltetrahydrofuran; water / 3 h / 30 - 35 °C / Inert atmosphere

3: methoxybenzene; methanesulfonic acid / dichloromethane; water / 2 h / 20 °C / Inert atmosphere

With hydrogenchloride; titanium(III) chloride; methanesulfonic acid; 2-chloro-1-methyl-pyridinium iodide; acetic acid; methoxybenzene; N-ethyl-N,N-diisopropylamine; In 2-methyltetrahydrofuran; dichloromethane; water;
DOI:10.1021/acs.oprd.0c00009

Reference yield:

: 60547-92-4
4-(benzyloxy)-5-methoxy-2-nitrobenzoic acid

: 35050-54-5
(E)-oxotomaymycin

Guidance literature:: Multi-step reaction with 3 steps

1: 2-chloro-1-methyl-pyridinium iodide; N-ethyl-N,N-diisopropylamine / 2-methyltetrahydrofuran / 4 h / 20 °C / Inert atmosphere

2: acetic acid; hydrogenchloride; titanium(III) chloride / 2-methyltetrahydrofuran; water / 3 h / 30 - 35 °C / Inert atmosphere

3: methoxybenzene; methanesulfonic acid / dichloromethane; water / 2 h / 20 °C / Inert atmosphere

With hydrogenchloride; titanium(III) chloride; methanesulfonic acid; 2-chloro-1-methyl-pyridinium iodide; acetic acid; methoxybenzene; N-ethyl-N,N-diisopropylamine; In 2-methyltetrahydrofuran; dichloromethane; water;
DOI:10.1021/acs.oprd.0c00009