2-Methoxyestriol

Base Information

• Chemical Name: 2-Methoxyestriol
• CAS No.: 1236-72-2
• Molecular Formula: C19H26 O4
• Molecular Weight: 318.41
• DSSTox Substance ID: DTXSID60924551
• Nikkaji Number: J131.385A
• Wikipedia: 2-Methoxyestriol
• Wikidata: Q97356634
• ChEMBL ID: CHEMBL1908077
• Mol file: 1236-72-2.mol

Synonyms:2-MeOE3;2-methoxyestriol;2-methoxyestriol-bis-sulfamate;2-methoxyestriol-bis-sulphamate;2-methoxyoestradiol-bis-sulphamate;2ME-BM cpd

Chemical Property of 2-Methoxyestriol

Chemical Property:

• Vapor Pressure: 2.83E-10mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 486.4°Cat760mmHg
• Flash Point: 248°C
• PSA: 69.92000
• Density: 1.255g/cm³
• LogP: 2.58860
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 318.18310931
• Heavy Atom Count: 23
• Complexity: 455

Purity/Quality:

97% ^*data from raw suppliers

2-METHOXYESTRIOL 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=CC(=C(C=C34)OC)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=CC(=C(C=C34)OC)O

Technology Process of 2-Methoxyestriol

There total 8 articles about 2-Methoxyestriol 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: 44.0%

sodium methylate (124-41-4) + 2-Iodoestriol → 2-methoxyestriol (1236-72-2)

Guidance literature:

With methanol; copper dichloride; In N,N-dimethyl-formamide; for 0.166667h; Heating;

DOI:10.1039/c39830000533

Reference yield:

Estriol (50-27-1,300853-07-0) → 2-methoxyestriol (1236-72-2)

Guidance literature:

DOI:10.1016/0003-9861(58)90097-3

Reference yield:

2-Methoxy-16α,17β-diacetoxy-Δ1.3.5(10)-oestratrien-3-<4-nitro-2-benzoyl-phenylaether> (122426-55-5) → 2-methoxyestriol (1236-72-2)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/jo01074a026

upstream raw materials:

Estriol

sodium methylate

2-Methoxy-16α,17β-diacetoxy-Δ^1.3.5(10)-oestratrien-3-<4-nitro-2-benzoyl-phenylaether>

estrone 3-methyl ether

Refernces

• 1、 FISHMAN,GALLAGHER. "2-Methoxyestriol: a new metabolite of estradiol in man.". . p. 511 - 513. Retrieved 1958.
• 2、 Numazawa, Mitsuteru,Ogura, Yuko. "Efficient Synthesis of 2-Methoxy- and 4-Methoxy-estrogens". . p. 533 - 534. Retrieved 2007/10/02.