5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

HCID 152111

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 15568-85-1
Standard SMILES: COC=C1C(=O)OC(C)(C)OC1=O
InChIKey: DVLSQHLXPRYYRC-UHFFFAOYSA-N
Molecular formula: C8H10O5
Average molar mass: 186.16 g/mol
Monoisotopic mass: 186.05282342

Overview

structure given in first source

Names & identifiers

Preferred name: 5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
IUPAC: 5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
English name: 5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Molecular formula: C8H10O5
Molecular weight: 186.16

Names & synonyms

5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione15568-85-1DTXSID10165952RefChem:913215DTXCID7088443876-080-35-(methoxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneMethoxymethylene meldrum's acidMFCD005992401,3-Dioxane-4,6-dione, 5-(methoxymethylene)-2,2-dimethyl-NSC662768Methoxymethylene cyclic isopropylidene malonate

Show more names

5-(Methoxymethylene)Lenvatinib Impurity 79Cabozantinib impurity 565-(Methoxymethylene) Meldrum’s Acid5-(Methoxymethylene)-2,2-Dimethyl-15-(Methoxymethylene)-2,2-dimethyl-1,3-lene)-2,2-dimethyl-1,3-dioxane-4,6-dioneMethoxymethylenecyclicisopropylidenemalonate5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-di

AKOS000281352NSC-6627681L-352SSY0070805-(MethoxymetBCP14499FT-0650838C6P7QC73LB

Database identifiers

CAS: 15568-85-1
PubChem CID: 152111
DTXSID: DTXSID10165952
UNII: C6P7QC73LB
EC Number: 876-080-3
Nikkaji: J552.757K

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 254

Physicochemical properties

Melting point: 132 · 132-134°C
Boiling point: 390 · 390.0±42.0 °C(Predicted)
Density: 1.297 · 1.297±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: solid
color: Yellow
InChI: InChI=1S/C8H10O5/c1-8(2)12-6(9)5(4-11-3)7(10)13-8/h4H,1-3H3
InChIKey: DVLSQHLXPRYYRC-UHFFFAOYSA-N
SMILES: O1C(=O)/C(=C/OC)/C(=O)OC1(C)C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330
HazardClass: IRRITANT
HS Code: 2932990090 · 2932990090

Safety & regulation

Safety data

hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312-P330

Chemistry & industry

Applications

Uses5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Upstream & downstream products

Upstream raw materials

2,2-Dimethyl-1,3-dioxane-4,6-dione Trimethoxymethane

Downstream products

4-[(2,2-Dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-amino]-2-methoxy-benzoic acid methyl ester 5,7-Dimethoxycoumarin 5-(Anilinomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Suppliers100 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

Related reactions

28 records

New reaction record

HRID 65121 reaction equation

HRID 65121As reactantuspto-grants-1986_09

HRID 118825 reaction equation

HRID 118825As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 123374 reaction equation

HRID 123374As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 143497 reaction equation

HRID 143497As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 393583 reaction equation

HRID 393583As reactantuspto-grants-2004_10

HRID 393655 reaction equation

HRID 393655As reactantuspto-grants-2004_10

HRID 393658 reaction equation

HRID 393658As reactantuspto-grants-2004_10

HRID 393663 reaction equation

HRID 393663As reactantuspto-grants-2004_10

Compound notes

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