Cotarnine chloride

Base Information

• Chemical Name: Cotarnine chloride
• CAS No.: 10018-19-6
• Molecular Formula: C12H14 N O3 . Cl
• Molecular Weight: 255.701
• Hs Code.: 2939800000
• European Community (EC) Number: 233-012-1
• NSC Number: 24824
• UNII: 03F6B8N3QN
• DSSTox Substance ID: DTXSID80905241
• Wikidata: Q27247563
• NCI Thesaurus Code: C79997
• ChEMBL ID: CHEMBL2104111
• Mol file: 10018-19-6.mol

Synonyms:Cotarnine chloride;10018-19-6;Stypticin;Cotarninium chloride;Kotarninchlorid;20276-45-3;Cotarnin chloride;Cotarninium chloratum;Cotarnine chloride [NF];NSC-24824;UNII-03F6B8N3QN;03F6B8N3QN;EINECS 233-012-1;NSC 24824;4-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride;7,8-dihydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolinium chloride;1,3-Dioxolo(4,5-g)isoquinolinium, 7,8-dihydro-4-methoxy-6-methyl-, chloride (8CI)(9CI);1,3-Dioxolo[4,5-g]isoquinolinium, 7,8-dihydro-4-methoxy-6-methyl-, chloride (1:1);7,8-Dihydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolinium chloride;1,3-Dioxolo(4,5-g)isoquinolinium, 7,8-dihydro-4-methoxy-6-methyl-, chloride;1,3-Dioxolo[4,5-g]isoquinolinium, 7,8-dihydro-4-methoxy-6-methyl-, chloride;4-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium;chloride;1,3-DIOXOLO(4,5-G)ISOQUINOLINIUM, 7,8-DIHYDRO-4-METHOXY-6-METHYL-, CHLORIDE (1:1);SPECTRUM100595;C12H14NO3.Cl;COTARNINE CHLORIDE [MI];CHEMBL2104111;C12-H14-N-O3.Cl;DTXSID80905241;COTARNIN CHLORIDE [WHO-DD];COTARNINE CHLORIDE [MART.];NSC24824;AKOS024458727;CCG-214320;NCGC00095441-01;FT-0603180;FT-0624072;SR-01000758972;J-000062;SR-01000758972-2;Q27247563;1,5-g]isoquinolinium, 7,8-dihydro-4-methoxy-6-methyl-, chloride;Methyl(6-methyl-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-4(6H)-ylidene)oxidanium chloride

Chemical Property of Cotarnine chloride

Chemical Property:

• Melting Point: 188-190°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 30.70000
• Density: g/cm³
• LogP: -1.99600
• Storage Temp.: -20°C Freezer
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 255.0662210
• Heavy Atom Count: 17
• Complexity: 305

Purity/Quality:

98%,99%, ^*data from raw suppliers

CotarnineChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CC2=C(C3=C(C=C2CC1)OCO3)OC.[Cl-]
• Uses: Cotarnine Chloride is an oxidative degradation product of the drug Noscapine. An oxidative degradation product of the drug Noscapine.

Technology Process of Cotarnine chloride

There total 6 articles about Cotarnine chloride 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: 90.0%

4-methoxy-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinolin-5-ol (82-54-2) → cotarnine chloride (10018-19-6)

Guidance literature:

With hydrogenchloride; In ethanol; pH=4 - 5;

DOI:10.1002/ejoc.201700471

Reference yield:

→ cotarnine chloride (10018-19-6)

Guidance literature:

Electrolysis_.Reaktion ueber mehrere Stufen;

DOI:10.1002/ardp.19322700608

Reference yield:

→ cotarnine chloride (10018-19-6)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

4-methoxy-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinolin-5-ol

noscapine

Downstream raw materials:

2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-phenylethan-1-one

Refernces

• 1、 Choudhury, Santosh Kumar,Rout, Pragati,Parida, Bibhuti Bhusan,Florent, Jean-Claude,Johannes, Ludger,Phaomei, Ganngam,Bertounesque, Emmanuel,Rout, Laxmidhar. "Metal-Free Activation of C(sp3)–H Bond, and a Practical and Rapid Synthesis of Privileged 1-Substituted 1,2,3,4-Tetrahydroisoquinolines". . p. 5275 - 5292. Retrieved 2017/09/29.