Estrone-6-(O-carboxymethyl)oxime

Base Information

• Chemical Name: Estrone-6-(O-carboxymethyl)oxime
• CAS No.: 35048-47-6
• Molecular Formula: C₂₀H₂₅NO₅
• Molecular Weight: 359.422
• Mol file: 35048-47-6.mol

Synonyms:((((17 beta)-3,17-dihydroxyestra-1,3,5(10)-trien-6-ylidene)amino)oxy)acetic acid;estradiol-6-(O-carboxymethyl)oxime;estradiol-6-CMO;estrone-6-(O-carboxymethyl)oxime

Chemical Property of Estrone-6-(O-carboxymethyl)oxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 195-197 °C (decomp)
• Boiling Point: 572.6°Cat760mmHg
• PKA: 3.10±0.10(Predicted)
• Flash Point: 300.1°C
• PSA: 99.35000
• Density: 1.46g/cm³
• LogP: 2.87200
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 359.17327290
• Heavy Atom Count: 26
• Complexity: 593

Purity/Quality:

98%,99%, ^*data from raw suppliers

β-Estradiol-6-one 6-(O-carboxymethyloxime) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CC(=NOCC(=O)O)C4=C3C=CC(=C4)O
• Isomeric SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)C/C(=N\OCC(=O)O)/C4=C3C=CC(=C4)O
• General Description: 1,3,5[10]-ESTRATRIENE-3,17-DIOL-6-ONE 6-[O-CARBOXYMETHYL]OXIME (also known as estradiol 6-(O-carboxymethyl)oxime) is a modified estrogen derivative where the 6-keto group of estradiol is conjugated with a carboxymethyloxime moiety. This modification enables covalent coupling to carrier proteins (e.g., bovine serum albumin) via carbodiimide chemistry, making it useful for generating antibodies with high specificity for estradiol-17β, particularly distinguishing it from structurally related estrogens like estrone and estriol. The attachment site at the 6-position influences antibody recognition, minimizing cross-reactivity with non-phenolic steroids and non-steroidal estrogens. 1,3,5[10]-ESTRATRIENE-3,17-DIOL-6-ONE 6-[O-CARBOXYMETHYL]OXIME has been employed in immunoassays and antigen production due to its ability to elicit targeted immune responses. **Returned paragraph:** 1,3,5[10]-ESTRATRIENE-3,17-DIOL-6-ONE 6-[O-CARBOXYMETHYL]OXIME is a carboxymethyloxime derivative of estradiol, primarily used as a hapten for generating specific antibodies against estradiol-17β. Its 6-position conjugation to carrier proteins enhances antibody specificity, reducing cross-reactivity with related estrogens and non-steroidal compounds, making it valuable in immunoassay development.

Technology Process of Estrone-6-(O-carboxymethyl)oxime

There total 11 articles about Estrone-6-(O-carboxymethyl)oxime 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: 99.0%

6-ketoestradiol (571-92-6) + (aminooxy)acetic acid hemihydrochloride (2921-14-4,7776-18-3,20295-82-3) → [{[3,17-dihydroxyestra-1(10),2,4-trien-6-ylidene]amino}oxy]acetic acid (35048-47-6)

Guidance literature:

With pyridine; at 23 ℃; for 16h;

DOI:10.1021/ol0497537

Reference yield:

6-ketoestradiol (571-92-6) + O-carboxymethylhydroxylamine hydrochloride (20295-82-3) → 6-keto-1,3,5(10)estratriene-3,17β-diol 6-carboxymethyloxime (35048-47-6)

Guidance literature:

With sodium acetate; In ethanol; Heating;

DOI:10.1016/S0039-128X(72)80018-7

Reference yield:

6-oxo-3,17β-estradiol diacetate (3434-45-5) → 6-keto-1,3,5(10)estratriene-3,17β-diol 6-carboxymethyloxime (35048-47-6)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / methanol

2: aq. NaOAc / methanol

With potassium hydroxide; sodium acetate; In methanol;

DOI:10.1016/0039-128X(71)90072-9

upstream raw materials:

6-ketoestradiol

O-carboxymethylhydroxylamine hydrochloride

(aminooxy)acetic acid hemihydrochloride

Benzoic acid (8R,9S,13S,14S,17S)-6-[(E)-carboxymethoxyimino]-17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl ester

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