Methyl 6-(hydroxymethyl)picolinate

HCID 11513809CAS 39977-44-1

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Grundinformationen

Standard-SMILES: COC(=O)c1cccc(CO)n1
InChIKey: DVIUNMLAPDJWHL-UHFFFAOYSA-N
Summenformel: C8H9NO3
Durchschnittliche Molmasse: 167,16 g/mol
Monoisotopische Masse: 167,05824315

Namen und Bezeichner

Bevorzugter Name: Methyl 6-(hydroxymethyl)picolinate
IUPAC: methyl 6-(hydroxymethyl)pyridine-2-carboxylate
Englischer Name: Methyl-6-hydroxymethyl-2-carboxylate pyridine
Summenformel: C8H9NO3
Molmasse: 167.16

Namen und Synonyme

39977-44-1methyl 6-(hydroxymethyl)picolinateDTXSID80467819RefChem:157714DTXCID70418638809-354-8Methyl 6-(hydroxymethyl)pyridine-2-carboxylateMethyl-6-hydroxymethyl-2-carboxylate pyridineMethyl 6-(hydroxymethyl)-2-pyridinecarboxylateMFCD03840850Methyl 6-hydroxymethyl-2-pyridine carboxylic acid6-HYDROXYMETHYL-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER

Weitere Namen anzeigen

Methyl 6-(hydroxymethyl)Methyl-6-hydroxymethyl-2-carboxylate6-(hydroxymethyl)-2-pyridinecarboxylateMETHYL-6-HYDROXYMETHYL-2-PYRIDINE-CARBOXYLATE2-hydroxymethylpyridine-6-carboxylic acid methyl ester

SCHEMBL1839782-(Hydroxymethyl)-6-methoxycarbonylpyridinemethyl 6-hydroxymethylpyridine-2-carboxylateEN300-128737AMY303236-(hydroxymethyl)-2-pyridinecarboxylic acid methyl ester2-PYRIDINECARBOXYLIC ACID, 6-(HYDROXYMETHYL)-, METHYL ESTERA824831

Datenbank-Bezeichner

CAS: 39977-44-1
PubChem CID: 11513809
DTXSID: DTXSID80467819
EC Number: 809-354-8
Nikkaji: J2.536.171G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 59,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 178 °C · 178 °C
Siedepunkt: 327.3 · 327.3±32.0 °C(Predicted)
Dichte: 1.244 · 1.244
storage temp.: Inert atmosphere,Room Temperature
pka: 13.03 · 13.03±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White
InChI: InChI=1S/C8H9NO3/c1-12-8(11)7-4-2-3-6(5-10)9-7/h2-4,10H,5H2,1H3
InChIKey: DVIUNMLAPDJWHL-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(CO)=CC=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMethyl 6-(Hydroxymethyl)-2-pyridinecarboxylate is a chemical compound used in the synthesis of Losartan (L470500) derivatives as AT1 antagonists in the preparation of antihypertensive agents. Also used to prepare telomerase inhibitors for in vivo inhibitory activity.