11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol | CAS No. 4504-88-5

11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol

Basic Information

CAS Number

4504-88-5

Molecular Formula

C19H23NO2

Molecular Weight

297.4 g/mol

AD

Basic Physical Properties

CN(C)CCCC1(C2=CC=CC=C2COC3=CC=CC=C31)O

InChI

InChI=1S/C19H23NO2/c1-20(2)13-7-12-19(21)16-9-4-3-8-15(16)14-22-18-11-6-5-10-17(18)19/h3-6,8-11,21H,7,12-14H2,1-2H3

InChIKey

ZEKLFUWSVQYTOO-UHFFFAOYSA-N

LogP

3.156700000000002

Topological Polar Surface Area

32.7 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

359

Synonyms & References

English

  • 11-[3-(diMethylaMino)propyl]-6,11-dihydrodibenz[b,e]oxepin-11-ol (Doxepin Impurity)
  • UNII-7O29I2R0ZG
  • 11-(3-(dimethylamino)propyl)-6,11-dihydrodibenz[b,e]oxepin-11-ol
  • SCHEMBL1281911
  • 11-Hydroxy-11-(3-dimethylaminopropyl)-6,11-dihydrodibenz(b,e)oxepine
  • BRN 1292658
  • Dibenz(b,e)oxepin-11-propylamine, 6,11-dihydro-N,N-dimethyl-11-hydroxy-
  • 11-(3-(Dimethylamino)propyl)-6,11-dihydrodibenz(b,e)oxepin-11-ol
  • 11-(3-(dimethylamino)propyl)-6,11-dihydrodibenzo[b,e]oxepin-11-ol
  • 11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol
  • (11RS)-11-[3-(Dimethylamino)-propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol (Doxepinol)
  • DTXSID70963330
  • EINECS 224-821-0
  • DIBENZ(b,e)OXEPIN-11-OL, 6,11-DIHYDRO-11-(3-DIMETHYLAMINOPROPYL)-
  • 11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,E]oxepin-11-ol
  • Doxepinol
  • 11-[3-(dimethylamino)propyl]-6,11-dihydrodibenz[b,e]oxepin-11-ol
  • DOXEPIN IMPURITY B
  • 11-(3-Dimethylaminopropyl)-6,11-dihydrobenz[b,e]oxepin-11-hydroxy
  • CS-0179842
  • 7O29I2R0ZG
  • ZEKLFUWSVQYTOO-UHFFFAOYSA-N
  • Doxepin EP Impurity B
  • 11-[3-(Dimethylamino)propyl]-6,11-dihydrocibenz[b,e]oxepin-11-ol
  • NS00046527
  • 11(RS)-(3-(DIMETHYLAMINO)PROPYL)-6,11-DIHYDRODIBENZO(B,E)OXEPIN-11-OL
  • Dibenz(b,e)oxepin-11-ol, 11-(3-(dimethylamino)propyl)-6,11-dihydro-
  • (+/-)-DOXEPINOL
  • DOXEPIN HYDROCHLORIDE IMPURITY B [EP IMPURITY]
  • 11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,E]oxepin-11-ol #
  • Dibenz[b,e]oxepin-11-ol, 11-[3-(dimethylamino)propyl]-6,11-dihydro-

MDL Number

MFCD01730597

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol (CAS: 4504-88-5)?

11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol (CAS: 4504-88-5) is a crystalline compound with a molecular weight of approximately 313.34 g/mol. It is poorly soluble in water but readily soluble in organic solvents like dichloromethane. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions. Its solubility and reactivity make it suitable for use in various chemical syntheses and applications.

How is 11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol (CAS: 4504-88-5) typically synthesized?

11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol (CAS: 4504-88-5) is typically synthesized through a multi-step process involving the condensation of appropriate starting materials, such as benzene derivatives and aminoalkanes. This process often requires the use of a catalyst, such as a Lewis acid, to promote the reaction. The overall yield is usually around 70-80%, and the selectivity of the reaction is high, making it a reliable method for producing the compound.

What industries use 11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol (CAS: 4504-88-5)?

11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol (CAS: 4504-88-5) is used in a variety of industries. It is particularly valuable in the pharmaceutical industry due to its biological activity. Additionally, it can be used in polymer synthesis and as a reagent in analytical chemistry for developing sensors and semiconductors.

What precautions should be taken when handling 11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol (CAS: 4504-88-5)?

Precautions when handling 11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol (CAS: 4504-88-5) include wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be ventilated. Refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions to ensure safe laboratory practices.

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