Ent-diltiazem hydrochloride

Base Information

Chemical Name:Ent-diltiazem hydrochloride
CAS No.:42399-54-2
Molecular Formula:C22H26 N2 O4 S . Cl H
Molecular Weight:450.986
Hs Code.:
European Community (EC) Number:250-872-3,255-802-5
DSSTox Substance ID:DTXSID201035351
Wikidata:Q27156385
Mol file:42399-54-2.mol

Synonyms:42399-54-2;ent-diltiazem hydrochloride;31953-18-1;EINECS 250-872-3;l-cis-diltiazem hydrochloride;L-CIS-DILTIAZEM . HCL;(R,R)-Diltiazem Hydrochloride;(-)-cis-diltiazem hydrochloride;EINECS 255-802-5;(2R-cis)-3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride;(2R-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride;[(2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride;1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-5-(2-(dimethylamino)ethyl)-3-hydroxy-2-(p-methoxyphenyl)-, acetate (ester), monohydrochloride;(2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride;cis-3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride;C20H26N2O4S.ClH;C20-H26-N2-O4-S.Cl-H;ent-diltiazem HCl;cis-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride;l-cis-diltiazem HCl;(-)-cis-diltiazem HCl;SCHEMBL2365380;CHEBI:82817;DTXSID201035351;LS-40515;EN300-27694501;Q27156385;(2R,3R)-3-(Acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one hydrochloride;1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2R,3R)-, hydrochloride (1:1);2-[(2R,3R)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium chloride

Suppliers and Price of Ent-diltiazem hydrochloride

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

TRC
(R,R)-DiltiazemHydrochloride
2.5mg
$ 580.00

Total 9 raw suppliers

Chemical Property of Ent-diltiazem hydrochloride

Chemical Property:

Boiling Point:594.4°Cat760mmHg
Flash Point:313.3°C
PSA：84.38000
Density:g/cm³
LogP:4.23550
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:450.1380062
Heavy Atom Count:30
Complexity:565

Purity/Quality:

99% ^*data from raw suppliers

(R,R)-DiltiazemHydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
Isomeric SMILES:CC(=O)O[C@H]1[C@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
Uses (R,R)-Diltiazem Hydrochloride is a calcium channel blocker. (R,R)-Diltiazem Hydrochloride is useful as a coronary vasodilator.

Technology Process of Ent-diltiazem hydrochloride

There total 4 articles about Ent-diltiazem hydrochloride 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%

: 34933-05-6
cis(+)-3-acetyloxy-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

2-(dimethylamino)chloride hydrochloride: 2-(dimethylamino)chloride hydrochloride

: 42399-54-2
(+)-Cis-3-(acetoxy)-5-[2-(dimethylamino)-ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one hydrochloride

Guidance literature:: With potassium carbonate; In chloroform; isopropyl alcohol; acetone;

Reference yield:

: 108-24-7
acetic anhydride

: 42399-53-1
(2RS,3RS)-cis-2,3-dihydro-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

: 42399-54-2
(+)-Cis-3-(acetoxy)-5-[2-(dimethylamino)-ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one hydrochloride

Guidance literature:: With hydrogenchloride; In ethanol; butanone; at 90 ℃; for 1h;
DOI:10.1002/hlca.19840670333

Reference yield:

: 42399-51-9
cis-(+)-2-(4'-methoxyphenyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepine-4(5H)-one

: 42399-54-2
(+)-Cis-3-(acetoxy)-5-[2-(dimethylamino)-ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: NaH / dimethylformamide; paraffin; diethyl ether / 3 h / 70 °C

2: 2.) HCl / butan-2-one; ethanol / 1 h / 90 °C

With hydrogenchloride; sodium hydride; In diethyl ether; ethanol; N,N-dimethyl-formamide; butanone; paraffin;
DOI:10.1002/hlca.19840670333