N-(hydroxymethyl)phthalimide

HCID 8354CAS 118-29-6
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Grundinformationen

Standard-SMILES
O=C1c2ccccc2C(=O)N1CO
InChIKey
MNSGOOCAMMSKGI-UHFFFAOYSA-N
Summenformel
C9H7NO3
Durchschnittliche Molmasse
177,16 g/mol
Monoisotopische Masse
177,04259308

Überblick

N-(hydroxymethyl)phthalimide is a primary alcohol comprising phthalimide carrying an N-hydroxymethyl substituent. It is a primary alcohol and a member of phthalimides. It is functionally related to a phthalimide.

Namen und Bezeichner

Bevorzugter Name
N-(hydroxymethyl)phthalimide
IUPAC
2-(hydroxymethyl)isoindole-1,3-dione
Englischer Name
N-(Hydroxymethyl)phthalimide
Summenformel
C9H7NO3
Molmasse
177.16

Namen und Synonyme

N-(Hydroxymethyl)phthalimide118-29-6N-HydroxymethylphthalimidePhthalimidomethyl alcoholHydroxymethylphthalimide2-(hydroxymethyl)isoindole-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(hydroxymethyl)-DTXSID1026954G8L8BA278JCHEBI:38816NSC-27350DTXCID506954
Weitere Namen anzeigen
N-Hydroxyl-Methyl phthalimideAURORA KA-454N-(HydroxymethyLAKOS BBS-00004724IFLAB-BB F0777-0575N-(Hydroxymethyl)phoxymethylphthalimide
RefChem:830141204-241-42-(hydroxymethyl)isoindoline-1,3-dioneN-MethylolphthalimidePhthalimidomethanolOxymethyl phthalimide2-(Hydroxymethyl)-1H-isoindole-1,3(2H)-dionePHTHALIMIDE, N-(HYDROXYMETHYL)-

Datenbank-Bezeichner

CAS
118-29-6
PubChem CID
8354
DTXSID
DTXSID1026954
ChEMBL
CHEMBL3183835
ChEBI
CHEBI:38816
UNII
G8L8BA278J
EC Number
204-241-4
Nikkaji
J16G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
57,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physikochemische Eigenschaften

Schmelzpunkt
147 · 147-149 °C (lit.)
Siedepunkt
309.06 °C · 309.06°C (rough estimate)
Dichte
1.3312 · 1.3312 (rough estimate)
Brechungsindex
1.52 · 1.5200 (estimate)
storage temp.
30 °C · Store below +30°C.
pka
13.17 · 13.17±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 88.1% (37 of 42) of all reports.

Warning

H315 (11.9%): 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 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1H-Isoindole-1,3(2H)-dione, 2-(hydroxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (11.9%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29251995
RTECS-Nr.
TI5270000
safety_code
22-24/25
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(hydroxymethyl)-: ACTIVE

Anwendungen

VerwendenN-(Hydroxymethyl)phthalimide is used as a reactant in the synthesis of 5-[(3-aralkyl amido/imidoalkyl)phenyl]-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines as antiviral agents.

Darstellung · 1 Eintrag

synthetischeTo a flask equipped with a mechanical stirrer and condenser is added 511 gm (3.47 moles) of phthalimide, 260 ml of 40% formalin (3.47 moles), and 1750 ml of water. The mixture is refluxed for about 5-10 min or until a clear solution results (if any insoluble material remains, it is first filtered). Then the mixture is cooled for several hours. The resulting product is filtered with suction, washed with cold water, and air-dried to afford 594 gm (96%), m.p. 137-141°C. NOTE: The product should not be oven-dried since it decomposes with the loss of formaldehyde. Recrystallization of the product from ethanol affords 94% recovery of the original material with the same melting point range.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A primary alcohol comprising phthalimide carrying an N-hydroxymethyl substituent.

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