Methylhydrogenadipat

Bezeichnung:Methylhydrogenadipat

CAS-Nr627-91-8

Englisch Name:Monomethyl adipate

CBNumberCB9683693

SummenformelC7H12O4

Molgewicht160.17

MOL-Datei627-91-8.mol

Synonyma

Methylhydrogenadipat

Methylhydrogenadipat physikalisch-chemischer Eigenschaften

Schmelzpunkt	7-9 °C (lit.)
Siedepunkt	162 °C/10 mmHg (lit.)
Dichte	1.081 g/mL at 25 °C (lit.)
Dampfdruck	1.48Pa at 25℃
Brechungsindex	n20/D 1.441(lit.)
Flammpunkt	>230 °F
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Sparingly), Methanol (Slightly)
pka	4.69±0.10(Predicted)
Aggregatzustand	Liquid
Farbe	Clear colorless
Wasserlöslichkeit	Not miscible or difficult to mix with water.
BRN	1766411
InChI	1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKey	UOBSVARXACCLLH-UHFFFAOYSA-N
SMILES	COC(=O)CCCCC(O)=O
LogP	0.500 (est)
CAS Datenbank	627-91-8(CAS DataBase Reference)
NIST chemische Informationen	Hexanedioic acid, monomethyl ester(627-91-8)
EPA chemische Informationen	Monomethyl adipate (627-91-8)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	24/25-36-26
WGK Germany	3
TSCA	TSCA listed
HS Code	29171290
Speicherklasse	10 - Combustible liquids

Gefahreninformationscode (GHS)

Monomethyl adipate Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S24/25:Berührung mit den Augen und der Haut vermeiden.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
Chemische Eigenschaften
clear colorless liquid
Verwenden
Methyl hydrogen adipate is a useful synthetic intermediate. It can be used to prepare 1,3,4-thiadiazole hydroxamic acid derivatives as novel histone deacetylase inhibitors which show potential antitumor activities. It can be also used to synthesize mannose-linked biphenylylacetic acid derivatives as novel inhibitors of selectin-mediated cell adhesion.
Definition
ChEBI: Monomethyl adipate is a dicarboxylic acid monoester that is the monomethyl ester of adipic acid. It has a role as a metabolite and a plasticiser.
Synthese
According to the general procedure described above, a has been synthesized from adipic acid (730mg, 5 mmol) and methanol (10 ml). Yield: 80%.
The synthetic method of Monomethyl adipate mainly contains following three kinds:
The one, under alkaline condition or issue the first portion hydrolysis reaction in the catalysis of bioactive enzyme (pork liver lipase etc.) and obtain Monomethyl adipate (such as document Blaise; Koehler; Bulletin de la Societe Chimique deFrance; Vol. (4) 7; (1910); P.219).
The 2nd, by hexanodioic acid or adipic anhydride and ethanol, as catalyzer, the control reaction conditions carries out esterification and obtains Monomethyl adipate (such as document Chem.Zentralbl. with acid; Vol.97; (1926; P.126));
The 3rd, by the people such as Swann nineteen forty-three with hexanodioic acid, diethylene adipate and ethanol with the condition of acid as catalyst under control reaction conditions obtain monomethyl adipate(document such as Swann; Oehler; Buswell; Org.synth.Coll.Vol.11; (1943); P.227).
Synthetic method of monomethyl adipate
http://www.orgsyn.org/demo.aspxprep=CV2P0264

Monomethyl adipate Upstream-Materialien And Downstream Produkte

Methylhydrogenadipat Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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