DX-52-1

Base Information

Chemical Name:DX-52-1
CAS No.:96251-59-1
Molecular Formula:C₁₉H₂₃N₃O₄
Molecular Weight:357.409
Hs Code.:
NSC Number:607097
DSSTox Substance ID:DTXSID90914602
ChEMBL ID:CHEMBL1521681
Mol file:96251-59-1.mol

Synonyms:8,11-iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 7-cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-;DX 52-1;DX-52-1;NSC 607097;NSC-607097

Suppliers and Price of DX-52-1

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
(5R)-5,7,8,9,10,11,11-ALPHA,BETA-12-OCTAHYDRO-5-ALPHA-HYDROXYMETHYL-7-CYANO-13-METHYL-4-METHOXY-8-BETA-11-BETA-EPIMINOAZEPINO-[1,2-B]ISOQUINOLINE-10-BETA-CARBOXYLIC ACID 95.00%
5MG
$ 501.41

Total 3 raw suppliers

Chemical Property of DX-52-1

Chemical Property:

Vapor Pressure:1.59E-15mmHg at 25°C
Boiling Point:605.7°Cat760mmHg
Flash Point:320.1°C
PSA：97.03000
Density:1.4g/cm³
LogP:0.51038
XLogP3:-1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:357.16885622
Heavy Atom Count:26
Complexity:619

Purity/Quality:: (5R)-5,7,8,9,10,11,11-ALPHA,BETA-12-OCTAHYDRO-5-ALPHA-HYDROXYMETHYL-7-CYANO-13-METHYL-4-METHOXY-8-BETA-11-BETA-EPIMINOAZEPINO-[1,2-B]ISOQUINOLINE-10-BETA-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C2CC(C1C3CC4=C(C(N3C2C#N)CO)C(=CC=C4)OC)C(=O)O

Technology Process of DX-52-1

There total 68 articles about DX-52-1 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: 72.0%

: 115288-97-6,139627-64-8
C₂₁H₂₇N₃O₅

: 96251-59-1,115361-93-8
4-cyano-6-hydroxymethyl-3,12-imino-7-methoxy-13-methyl-1,2,3,4,6,11,11a,12-octahydroazepino<1,2-b>isoquinoline-1-carboxylic acid

Guidance literature:: With chloro-trimethyl-silane; sodium iodide; In acetonitrile;
DOI:10.1021/ja00033a089

Reference yield: 72.0%

: 139627-64-8
<5R-(5α,7β,8β,10β,11β,11aβ)>-7-cyano-5,7,8,9,10,11,11a,12-octahydro-4-methoxy-5-<(methoxymethoxy)methyl>-13-methyl-8,11-iminoazepino<1,2-b>isoquinoline-10-carboxylic acid

: 96251-59-1
<5R-(5α,7β,8β,10β,11β,11aβ)>-7-cyano-5,7,8,9,10,11,11a,12-octahydro-4-methoxy-5-(hydroxymethyl)-13-methyl-8,11-iminoazepino<1,2-b>isoquinoline-10-carboxylic acid

Guidance literature:: With chloro-trimethyl-silane; sodium iodide; In acetonitrile; for 2h; Ambient temperature;
DOI:10.1021/ja00076a036

Reference yield:

: 139527-62-1
<5R-(5α,8β,10β(3aR^*,6S^*,7aS^*),11β)>-1-<<5,7,8,9,10,11-hexahydro-4-methoxy-5-<(methoxymethoxy)methyl>-13-methyl-7-oxo-8,11-iminoazepino<1,2b>isoquinoline-10-yl>carbonyl>hexahydro-8,8-dimethyl-2,2-dioxo-3H-3a,6-methano-2,1-benzisothiazole

: 96251-59-1
<5R-(5α,7β,8β,10β,11β,11aβ)>-7-cyano-5,7,8,9,10,11,11a,12-octahydro-4-methoxy-5-(hydroxymethyl)-13-methyl-8,11-iminoazepino<1,2-b>isoquinoline-10-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 30 percent / H₂ / Raney-Ni / ethanol / 20 h / 65 °C / 72400.7 Torr

2: 100 percent / LiOH*H₂O / tetrahydrofuran; H₂O / 2 h / Ambient temperature

3: 1.) Li/NH₃, 2.) 1 N HCl

4: 72 percent / NaI, TMSCl / acetonitrile / 2 h / Ambient temperature

With hydrogenchloride; lithium hydroxide; chloro-trimethyl-silane; ammonia; hydrogen; lithium; sodium iodide; nickel; In tetrahydrofuran; ethanol; water; acetonitrile;
DOI:10.1021/ja00076a036