CAS 3001-72-7|2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine|2H,3H,4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidine|DBN|DBN|1,5-Diazabicyclo[4.3.0]non-5-ene|1,5-二氮杂双环[4.3.0]壬-5-烯|1,5-Diazabicyclo(4.3.0)no...

基本信息

化学结构

分子式

C₇H₁₂N₂

分子量

124.18358

精确质量

124.10004839

电荷

InChI

InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2

InChIKey

SGUVLZREKBPKCE-UHFFFAOYSA-N

Canonic Smiles

C1CN=C2N(C1)CCC2

Isomeric Smiles

N1=C2N(CCC1)CCC2

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-2.4970253

LogD (pH = 7.4)

-2.482047

Log P

-0.08176086

摩尔折射率

37.4028

极化性

14.026786

极化表面积

15.6

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine1,5-Diazabicyclo[4.3.0]non-5-eneDBN1,5-二氮杂双环[4.3.0]壬-5-烯1,5-Diazabicyclo(4.3.0)non-5-ene1,5-Diazabicyclo[4.3.0]non-5-ene 97%1,5-二氮双环[4.3.0]壬-5-烯

IUPAC标准名

2H,3H,4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidine

IUPAC传统名

DBN

名称和标识

数据登录号

EC号

221-087-3

Beilstein号

2417

PubChem SID

2484828724860252162076640

MDL号

MFCD00005554

CAS号

3001-72-7

Chemspider ID

68826

维基百科标题

1,5-Diazabicyclo(4.3.0)non-5-ene

PubChem CID

76349

数据登录号

化合物性质

安全信息

Corrosive/Light Sensitive/Air Sensitive/Moisture Sensitive/Hygroscopic/Store under Argon

Air Sensitive & Hygroscopic

腐蚀金属，类别1

腐蚀皮肤，类别1A，1B，1C

严重眼损伤，类别1

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

Wikipedia

1,5-Diazabicyclo(4.3.0)non-5-ene

Sigma Aldrich

136581

包装
5, 25, 100 g in glass bottle

33471

Other Notes
用于脱氢卤化反应形成烯烃的脒碱1

描述信息

参考文献

PubChem文献

数据源提供

• For use of DBN in the aldol condensation, see: J. Am. Chem. Soc., 90, 3245 (1968). For esterification of thermally unstable carboxylic acids with diethyl sulfate at ambient temperature, see: Synth. Commun., 6, 89 (1976). For use in the alkylation of thiols with dihalomethanes, see: Synthesis, 952 (1980). In refluxing xylene, DBN and DBU cleave hindered esters, e.g. mesitoates, by alkyl-oxygen cleavage: Tetrahedron Lett., 3987 (1972); J. Org. Chem., 38, 1223 (1973).

• The bicyclic amidines, DBN and DBU are strong organic bases initially introduced as reagents for dehydrohalogenation in vitamin A synthesis: Chem. Ber., 99, 2012 (1966).

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC标准名

2H,3H,4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidine

IUPAC传统名

DBN

数据登录号

EC号

221-087-3

Beilstein号

2417

PubChem SID

2484828724860252162076640

MDL号

MFCD00005554

CAS号

3001-72-7

Chemspider ID

68826

维基百科标题

1,5-Diazabicyclo(4.3.0)non-5-ene

PubChem CID

76349

描述信息

Wikipedia

1,5-Diazabicyclo(4.3.0)non-5-ene

Sigma Aldrich

136581

包装
5, 25, 100 g in glass bottle

33471

Other Notes
用于脱氢卤化反应形成烯烃的脒碱1

参考文献

PubChem文献

数据源提供

• The bicyclic amidines, DBN and DBU are strong organic bases initially introduced as reagents for dehydrohalogenation in vitamin A synthesis: Chem. Ber., 99, 2012 (1966).

生物活性

PubChem BioAssay

化合物性质

安全信息

Corrosive/Light Sensitive/Air Sensitive/Moisture Sensitive/Hygroscopic/Store under Argon

Air Sensitive & Hygroscopic

腐蚀金属，类别1

腐蚀皮肤，类别1A，1B，1C

严重眼损伤，类别1

化合物信息

ID:89784