7-Methoxy-7-oxoheptanoic acid

Base Information

• Chemical Name: 7-Methoxy-7-oxoheptanoic acid
• CAS No.: 20291-40-1
• Molecular Formula: C8H14 O4
• Molecular Weight: 174.197
• Hs Code.: 2918990090
• European Community (EC) Number: 243-693-7
• DSSTox Substance ID: DTXSID70174166
• Nikkaji Number: J267.191C
• Mol file: 20291-40-1.mol

Synonyms:7-Methoxy-7-oxoheptanoic acid;20291-40-1;Monomethyl pimelate;Methyl hydrogen heptane-1,7-dioate;EINECS 243-693-7;7-METHOXY-7-OXOHEPTANOICACID;MFCD00040445;Heptanedioic acid, monomethyl ester;methyl hydrogen pimelate;Pimelic acid 1-methyl ester;6-methoxycarbonylhexanoic acid;SCHEMBL3234162;DTXSID70174166;7-Methoxy-7-oxoheptanoic acid #;Heptanedioic acid, 1-methyl ester;AKOS025310560;CS-W001494;AS-44362;SY108052

Chemical Property of 7-Methoxy-7-oxoheptanoic acid

Chemical Property:

• Vapor Pressure: 0.00169mmHg at 25°C
• Melting Point: 5 °C
• Boiling Point: 272.5°Cat760mmHg
• PKA: 4.72±0.10(Predicted)
• Flash Point: 104.3°C
• PSA: 63.60000
• Density: 1.097g/cm³
• LogP: 1.19450
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99.0% ^*data from raw suppliers

7-Methoxy-7-oxoheptanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCCC(=O)O

Technology Process of 7-Methoxy-7-oxoheptanoic acid

There total 13 articles about 7-Methoxy-7-oxoheptanoic acid 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: 97.0%

dimethyl 1,7-heptanedioate (1732-08-7) → 7-methoxy-7-oxoheptanoic acid (20291-40-1)

Guidance literature:

With porcine liver esterase; sodium hydroxide; phosphate buffer; for 6h;

Reference yield: 78.0%

methyl 6-bromohexanoate (14273-90-6) + carbon dioxide (124-38-9,18923-20-1) → 7-methoxy-7-oxoheptanoic acid (20291-40-1)

Guidance literature:

With nickel(II) iodide; manganese; C₃₆H₄₀N₂; In N,N-dimethyl-formamide; at 25 ℃; for 20h; under 760.051 Torr;

DOI:10.1038/nature22316

Reference yield: 68.0%

heptanedioic acid (111-16-0) + dimethyl 1,7-heptanedioate (1732-08-7) → 7-methoxy-7-oxoheptanoic acid (20291-40-1)

Guidance literature:

With hydrogenchloride; In methanol; ethyl acetate;

upstream raw materials:

pyridine

methanol

methyl hydrogen succinate

glutaric acid monobenzyl ester

Downstream raw materials:

6-[3-(2-Amino-4-bromo-phenylsulfanyl)-phenylcarbamoyl]-hexanoic acid methyl ester

6-[3-(4-Bromo-2-nitro-phenylsulfanyl)-phenylcarbamoyl]-hexanoic acid methyl ester

6-(3-{4-Bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-hexanoic acid

6-(3-{4-Bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-hexanoic acid methyl ester

Refernces

• 1、 Rodriguez, Ana R.,Spur, Bernd W.. "First total syntheses of the pro-resolving lipid mediators 7(S),13(R),20(S)-Resolvin T1 and 7(S),13(R)-Resolvin T4". . . Retrieved 2019/12/25.
• 2、 Meyners, Christian,Mertens, Monique,Wessig, Pablo,Meyer-Almes, Franz-Josef. "A Fluorescence-Lifetime-Based Binding Assay for Class IIa Histone Deacetylases". . p. 3107 - 3116. Retrieved 2017/03/13.