(4S,7R)-4,7-Methano-1H-indazole

Base Information

Chemical Name:(4S,7R)-4,7-Methano-1H-indazole
CAS No.:72345-25-6
Deprecated CAS:134312-54-2
Molecular Formula:C₁₁H₁₆N₂
Molecular Weight:176.261
Hs Code.:
DSSTox Substance ID:DTXSID10984125
Nikkaji Number:J403.798G,J808.540D
Wikidata:Q82971229
Mol file:72345-25-6.mol

Synonyms:(4S,7R)-4,7-methano-2H-indazole;4,7-M(2H)IDZ;7,8,8-trimethyl-4,7-methano-2H-indazole

Suppliers and Price of (4S,7R)-4,7-Methano-1H-indazole

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

Total 2 raw suppliers

Chemical Property of (4S,7R)-4,7-Methano-1H-indazole

Chemical Property:

Vapor Pressure:0.00375mmHg at 25°C
Boiling Point:289.8°C at 760 mmHg
Flash Point:123.9°C
PSA：28.68000
Density:1.103g/cm³
LogP:2.58460
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:176.131348519
Heavy Atom Count:13
Complexity:249

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2CCC1(C3=C2C=NN3)C)C
Isomeric SMILES:C[C@@]12CC[C@@H](C1(C)C)C3=C2NN=C3

Technology Process of (4S,7R)-4,7-Methano-1H-indazole

There total 4 articles about (4S,7R)-4,7-Methano-1H-indazole 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%

: 14681-31-3
(1R,4S)-3-(hydroxymethylene)-1,7,7-trimethylbicyclo-[2.2.1]heptan-2-one

: 65529-87-5,72345-25-6
(4S,7R)-7,8,8-trimethyl-4,5,6,7-tetrahydro-4,7-methano-1⁽²⁾H-indazole

Guidance literature:: With hydrazine hydrate; In ethanol; for 24h; Inert atmosphere; Schlenk technique; Reflux;
DOI:10.1016/j.ica.2018.11.014

Reference yield: 81.0%

: 473929-46-3
(1R,4R)-3-[(E)-(dimethylamino)methylidene]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

: 72345-25-6,65529-87-5
(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.0^2,6]deca-2(6),4-diene

Guidance literature:: With hydrazine hydrochloride; In methanol; at 20 ℃; for 24h;
DOI:10.1016/j.tet.2005.02.048

Reference yield:

: 464-49-3,68546-28-1
(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

: 65529-87-5,72345-25-6
(4S,7R)-7,8,8-trimethyl-4,5,6,7-tetrahydro-4,7-methano-1⁽²⁾H-indazole

Guidance literature:: Multi-step reaction with 2 steps

1: potassium hydride / tetrahydrofuran; mineral oil / 24 h / Inert atmosphere; Schlenk technique

2: hydrazine hydrate / ethanol / 24 h / Inert atmosphere; Schlenk technique; Reflux

With potassium hydride; hydrazine hydrate; In tetrahydrofuran; ethanol; mineral oil;
DOI:10.1016/j.ica.2018.11.014