Methallenestrilphenol

Base Information

• Chemical Name: Methallenestrilphenol
• CAS No.: 15372-37-9
• Deprecated CAS: 65118-81-2
• Molecular Formula: C₁₇H₂₀O₃
• Molecular Weight: 272.344
• NSC Number: 85447,85446,78296
• UNII: 6J0J47Q1NX
• DSSTox Substance ID: DTXSID40860807
• Nikkaji Number: J156.566D,J923.592B
• Wikipedia: Allenestrol
• Wikidata: Q27116302
• ChEMBL ID: CHEMBL1978410
• Mol file: 15372-37-9.mol

Synonyms:Methallenestrilphenol;15372-37-9;(+-)-Methallenestrilphenol;UNII-6J0J47Q1NX;N-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid;6J0J47Q1NX;alpha,alpha-Dimethyl-beta-ethylallenolic acid;NSC78296;(+/-)-Methallenestrilphenol;3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid;65118-81-2;CHEBI:34865;NSC 78296;NSC-78296;2-Naphthalenepropanoic acid, beta-ethyl-6-hydroxy-alpha,alpha-dimethyl-;NSC-85446;NSC-85447;(?)-Hydroxyallenoic acid;( -)-Methallenestrilphenol;NCIOpen2_004820;NCIOpen2_005098;CHEMBL1978410;DTXSID40860807;NSC85446;NSC85447;NCI60_041726;3-(6-hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid;Q27116302;.ALPHA.,.ALPHA.-DIMETHYL-.BETA.-ETHYLALLENOLIC ACID;beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid;2-NAPHTHALENEPROPANOIC ACID, .BETA.-ETHYL-6-HYDROXY-.ALPHA.,.ALPHA.-DIMETHYL-, (+/-)-

Chemical Property of Methallenestrilphenol

Chemical Property:

• Vapor Pressure: 5.07E-09mmHg at 25°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 272.14124450
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C1=CC2=C(C=C1)C=C(C=C2)O)C(C)(C)C(=O)O

Technology Process of Methallenestrilphenol

There total 8 articles about Methallenestrilphenol 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:

(+-)-2.2-dimethyl-3-(6-methoxy-naphthyl-(2))-valeric acid (517-18-0,15372-35-7) → α,α-dimethyl-β-ethyl allenolic acid (15372-37-9,65118-81-2)

Guidance literature:

With pyridine hydrochloride; at 190 ℃;

DOI:10.1007/s004380000324

Reference yield:

2-Methoxynaphthalene (93-04-9) → α,α-dimethyl-β-ethyl allenolic acid (15372-37-9,65118-81-2)

Guidance literature:

Multi-step reaction with 6 steps

1: SnCl₄

2: magnesium; diethyl ether; benzene

3: formic acid / 100 °C

4: platinum; diethyl ether / Hydrogenation

5: sodium hydroxide; aqueous 1-methoxy-ethanol-⁽²⁾

6: pyridine hydrochloride / 190 °C

With sodium hydroxide; formic acid; diethyl ether; anhydrous methoxyethanol; pyridine hydrochloride; tin(IV) chloride; magnesium; platinum; benzene;

DOI:10.1007/s004380000324

Reference yield:

6-methoxy-2-propionylnaphthalene (2700-47-2) → α,α-dimethyl-β-ethyl allenolic acid (15372-37-9,65118-81-2)

Guidance literature:

Multi-step reaction with 5 steps

1: magnesium; diethyl ether; benzene

2: formic acid / 100 °C

3: platinum; diethyl ether / Hydrogenation

4: sodium hydroxide; aqueous 1-methoxy-ethanol-⁽²⁾

5: pyridine hydrochloride / 190 °C

With sodium hydroxide; formic acid; diethyl ether; anhydrous methoxyethanol; pyridine hydrochloride; magnesium; platinum; benzene;

DOI:10.1007/s004380000324

upstream raw materials:

(+-)-2.2-dimethyl-3-(6-methoxy-naphthyl-⁽²⁾)-valeric acid

2-Methoxynaphthalene

6-methoxy-2-propionylnaphthalene

3-(6-methoxy-[2]naphthyl)-2,2-dimethyl-valeric acid methyl ester