Ecomustine

Base Information

Chemical Name:Ecomustine
CAS No.:98383-18-7
Molecular Formula:C₁₀H₁₈ClN₃O₆
Molecular Weight:311.722
Hs Code.:
UNII:7369R4J7S2
Nikkaji Number:J247.943E
Wikidata:Q27266144
NCI Thesaurus Code:C77371
ChEMBL ID:CHEMBL2106341
Mol file:98383-18-7.mol

Synonyms:CY 233;CY-233;CY233;ecomustine;methyl 3-(3-(2-chloroethyl)-3-nitrosoureido)-2,3-dideoxyarabinohexopyranoside;NSC 609224;NSC-609224

Suppliers and Price of Ecomustine

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
ECOMUSTINE 95.00%
5MG
$ 499.75

Total 8 raw suppliers

Chemical Property of Ecomustine

Chemical Property:

Boiling Point:°Cat760mmHg
PKA:9.41±0.70(Predicted)
Flash Point:°C
PSA：120.69000
Density:1.59g/cm³
LogP:-0.20770
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:311.0884130
Heavy Atom Count:20
Complexity:334

Purity/Quality:

99% up by HPLC ^*data from raw suppliers

ECOMUSTINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1CC(C(C(O1)CO)O)NC(=O)N(CCCl)N=O
Isomeric SMILES:CO[C@@H]1C[C@H]([C@@H]([C@H](O1)CO)O)NC(=O)N(CCCl)N=O

Technology Process of Ecomustine

There total 4 articles about Ecomustine 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:

: 6386-19-2
methyl 3-azido-4,6-O-benzylidene-2,3-dideoxy-α-D-arabino-hexopyranoside

: 98383-18-7
methyl 3-<3-(2-chloroethyl)-3-nitrosoureido>-2,3-dideoxy-α-D-arabino-hexopyranoside

Guidance literature:: Multi-step reaction with 4 steps

1: 98 percent / acetyl chloride, methanol / Ambient temperature

2: 98 percent / H₂ / 10percent Pd-charcoal / ethanol / 760 Torr / Ambient temperature

3: dimethylformamide / 5 h / 0 °C

4: sodium nitrite / formic acid / 0.5 h

With methanol; hydrogen; acetyl chloride; sodium nitrite; palladium on activated charcoal; In formic acid; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00121a005

Reference yield:

: 20379-53-7
methyl 3-azido-2,3-dideoxy-α-D-arabino-hexopyranoside

: 98383-18-7
methyl 3-<3-(2-chloroethyl)-3-nitrosoureido>-2,3-dideoxy-α-D-arabino-hexopyranoside

Guidance literature:: Multi-step reaction with 3 steps

1: 98 percent / H₂ / 10percent Pd-charcoal / ethanol / 760 Torr / Ambient temperature

2: dimethylformamide / 5 h / 0 °C

3: sodium nitrite / formic acid / 0.5 h

With hydrogen; sodium nitrite; palladium on activated charcoal; In formic acid; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00121a005