3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone

Modify Date: 2026-07-08 19:06:13

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone structure	Common Name	3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone
	CAS Number	123769-39-1	Molecular Weight	284.30700
	Density	1.193g/cm3	Boiling Point	450.8ºC at 760 mmHg
	Molecular Formula	C₁₇H₁₆O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	201ºC

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.193g/cm3
Boiling Point	450.8ºC at 760 mmHg
Molecular Formula	C₁₇H₁₆O₄
Molecular Weight	284.30700
Flash Point	201ºC
Exact Mass	284.10500
PSA	44.76000
LogP	3.08750
Vapour Pressure	2.56E-08mmHg at 25°C
Index of Refraction	1.569
InChIKey	GFEQLTPWWIGBNK-UHFFFAOYSA-N
SMILES	COc1ccc(C(=O)c2ccc3c(c2)OCCCO3)cc1

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: PC4950140

CHEMICAL NAME :: Methanone, (3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphen yl)-

CAS REGISTRY NUMBER :: 123769-39-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H16-O4

MOLECULAR WEIGHT :: 284.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,322,1989

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

3,4-DIHYDRO-2H-...

CAS#:7216-18-4

p-Anisoyl chloride

CAS#:100-07-2

~82%

3,4-dihydro-2H-...

CAS#:123769-39-1

Learn More

Literature: Daukshas, V. K.; Gaidyalis, P. G.; Labanauskas, L. K.; Udrenaite, E. B.; Gasneravichene, G. A.; Raguotene, N. V. Pharmaceutical Chemistry Journal, 1989 , vol. 23, # 4 p. 322 - 324 Khimiko-Farmatsevticheskii Zhurnal, 1989 , vol. 23, # 4 p. 435 - 437

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 2
CAS#:7216-18-4 3,4-DIHYDRO-2H-... CAS#:100-07-2 p-Anisoyl chloride
DownStream 0

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)methanone

2H-1,5-Benzodioxepine,3,4-dihydro-7-(p-methoxybenzoyl)

Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the upstream materials of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone?

A: Related upstream materials(CAS) of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone: 7216-18-4;100-07-2.

Q: What is the SMILES notation of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone?

A: SMILES notation of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc3c(c2)OCCCO3)cc1.

Q: What is the English name of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone?

A: The English name of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone is 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone.

Q: What is the InChIKey of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone?

A: InChIKey of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone is GFEQLTPWWIGBNK-UHFFFAOYSA-N.

Q: What is the polar surface area (PSA) of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone?

A: Polar surface area (PSA) of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone is 44.76000.

Q: What is the LogP of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone?

A: LogP of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone is 3.08750.

Q: What is the molecular formula of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone?

A: Molecular formula of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone is C17H16O4.

Q: What is the boiling point of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone?

A: Boiling point of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone is 450.8ºC at 760 mmHg.

Q: What English synonyms does 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone have?

A: English synonyms of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone: (3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)methanone, 2H-1,5-Benzodioxepine,3,4-dihydro-7-(p-methoxybenzoyl), Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl).

Q: What is the molecular weight of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone?

A: Molecular weight of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone is 284.30700.

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3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.