2H-1-Benzopyran-7-ol, 3,4-dihydro-2,2-dimethyl-3-phenyl-4-(4-(2-(1-pyrrolidinyl)ethoxy)-phenyl)-, (E)-

Base Information

Chemical Name:2H-1-Benzopyran-7-ol, 3,4-dihydro-2,2-dimethyl-3-phenyl-4-(4-(2-(1-pyrrolidinyl)ethoxy)-phenyl)-, (E)-
CAS No.:84394-36-5
Molecular Formula:C29H33NO3
Molecular Weight:443.5772
Hs Code.:
UNII:Z524X388WM,3JG8WB8GBG
DSSTox Substance ID:DTXSID90233365
Nikkaji Number:J607.378F
Wikidata:Q83114857
ChEMBL ID:CHEMBL66945

Synonyms:7-desmethyl centchroman;7-desmethylcentchroman

Suppliers and Price of 2H-1-Benzopyran-7-ol, 3,4-dihydro-2,2-dimethyl-3-phenyl-4-(4-(2-(1-pyrrolidinyl)ethoxy)-phenyl)-, (E)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 3 raw suppliers

Chemical Property of 2H-1-Benzopyran-7-ol, 3,4-dihydro-2,2-dimethyl-3-phenyl-4-(4-(2-(1-pyrrolidinyl)ethoxy)-phenyl)-, (E)-

Chemical Property:

Vapor Pressure:1.5E-13mmHg at 25°C
Boiling Point:569°Cat760mmHg
Flash Point:297.9°C
Density:1.14g/cm³
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:443.24604391
Heavy Atom Count:33
Complexity:604

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(C(C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C
Isomeric SMILES:CC1([C@H]([C@@H](C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C

Technology Process of 2H-1-Benzopyran-7-ol, 3,4-dihydro-2,2-dimethyl-3-phenyl-4-(4-(2-(1-pyrrolidinyl)ethoxy)-phenyl)-, (E)-

There total 2 articles about 2H-1-Benzopyran-7-ol, 3,4-dihydro-2,2-dimethyl-3-phenyl-4-(4-(2-(1-pyrrolidinyl)ethoxy)-phenyl)-, (E)- 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: 45.0%

: 51423-20-2,78994-24-8
1-{2-[4-((3S,4R)-7-Methoxy-2,2-dimethyl-3-phenyl-chroman-4-yl)-phenoxy]-ethyl}-pyrrolidine

: 84394-36-5
trans-2,2-dimethyl-3-phenyl-4-[p-(β-pyrrolidinoethoxy)phenyl]-7-hydroxychroman

: 3,4-trans-7-hydroxy-2,2-dimethyl-3-phenyl-4-(p-hydroxyphenyl)chroman

Guidance literature:: With potassium hydroxide; hydrazine hydrate; In diethylene glycol; at 235 - 240 ℃;

Reference yield: 25.0%

: 31477-60-8,78994-24-8
ormeloxifene

: 84394-36-5
trans-2,2-dimethyl-3-phenyl-4-[p-(β-pyrrolidinoethoxy)phenyl]-7-hydroxychroman

Guidance literature:: With potassium hydroxide; hydrazine hydrate; In diethylene glycol; at 240 ℃; for 0.5h;
DOI:10.1021/jm00358a026

Reference yield:

: 84394-36-5
trans-2,2-dimethyl-3-phenyl-4-[p-(β-pyrrolidinoethoxy)phenyl]-7-hydroxychroman

: 3,4-trans-2,2-dimethyl-3-phenyl-4-(p-pyrrolidinoethoxyphenyl)-7-carboxymethoxychroman

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) 1 N sodium hydroxide, 2.) tetrabutylammonium bromide / 1.) dichloromethane, 30 min., 2.) dichloromethane, RT, 18 h

2: 77.2 percent / sodium hydroxide / methanol; H₂O / 2 h / Ambient temperature

With sodium hydroxide; tetrabutylammomium bromide; In methanol; water;