Basic information 合成方法 Safety Supplier Related
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5-Dibenzosuberenone

Basic information 合成方法 Safety Supplier Related

5-Dibenzosuberenone Basic information

Product Name:
5-Dibenzosuberenone
Synonyms:
  • Cyproheptadine Impurity B
  • Cyproheptadine impurity B (5h-dibenzo A, D cycloheptene-5-one)
  • 5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE
  • 5H-DIBENZO(A,D)CYCLOHEPTENE-5-OL
  • 5-DIBENZOSUBERENONE
  • Dibenzosuberenone,97%
  • Dibenzo[a,d]cyclohepten-5-one
  • NSC 86151
CAS:
2222-33-5
MF:
C15H10O
MW:
206.24
EINECS:
218-737-3
Product Categories:
  • Others chemical reagents
  • Aromatics
  • Pharmaceutical Intermediates
  • API intermediates
  • intermediate of cyclobenzaprine, cyproheptadine, d
  • Intermediates
Mol File:
2222-33-5.mol
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5-Dibenzosuberenone Chemical Properties

Melting point:
87-88 °C (lit.)
Boiling point:
210 °C / 3mmHg
Density 
1.0701 (rough estimate)
vapor pressure 
0.006Pa at 25℃
refractive index 
1.6324 (estimate)
Flash point:
>110℃
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), Ethyl Acetate (Slightly)
form 
Crystalline Powder
Specific Gravity
1.156
color 
White to pale yellow or beige
Water Solubility 
Soluble in chloroform, ethyl acetate. Insoluble in water.
BRN 
743171
InChIKey
SNVTZAIYUGUKNI-UHFFFAOYSA-N
LogP
3.508 at 25℃
CAS DataBase Reference
2222-33-5(CAS DataBase Reference)
NIST Chemistry Reference
5H-Dibenzo[a,d]cyclohepten-5-one(2222-33-5)
EPA Substance Registry System
5H-Dibenzo[a,d]cyclohepten-5-one (2222-33-5)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
24/25-36-26
RIDADR 
3077
WGK Germany 
3
RTECS 
HP1147500
Hazard Note 
Irritant
TSCA 
Yes
HazardClass 
9
PackingGroup 
III
HS Code 
29143990
Toxicity
mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02244,

MSDS

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5-Dibenzosuberenone Usage And Synthesis

合成方法

方法1:以二苯并[a,d]环庚-5-酮为起始物料,在CCl4中经溴素溴代回流反应18h,随后加入三乙胺再继续回流16h后经后处理制得目标产品。该方法用的毒性较大的原料,且制备反应周期也较长。方法2:以反式二溴代物为底物,在氩气保护及α-硒代噻吩、四甲基乙二胺作用下,经Schlenk管装置在光辐射下反应制得目标产物。该方法目标产品的制备在毫克级,并且需要柱层析提纯,难于量产。方法3:以3-(2-苯甲酰基苯基)丙烯酸为起始物料,在银系催化剂及氧化剂的作用下分子内脱羧偶联制得目标产品5-二苯并环庚烯酮。

Chemical Properties

5-Dibenzosuberenone is white to pale yellow or beige crystalline powder

Uses

5-Dibenzosuberenone Can be used in the synthesis of a series of potent antidepressants.

Synthesis Reference(s)

Journal of Medicinal Chemistry, 8, p. 886, 1965 DOI: 10.1021/jm00330a044

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