4-甲基-1,2,3,6-四氢吡啶盐酸盐 | 95019-16-2
4-甲基-1,2,3,6-四氢吡啶盐酸盐
4-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
95019-16-2
C6H12ClN
133.619180679321
名称和标识符
MDL |
MFCD22123337 |
InChIKey |
ZCJOZBAPTJGKNC-UHFFFAOYSA-N |
Inchi |
1S/C6H11N.ClH/c1-6-2-4-7-5-3-6;/h2,7H,3-5H2,1H3;1H |
SMILES |
Cl.C1CNCCC=1C |
别名信息
- 英文别名 -
- 4-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
- 4-Methyl-1,2,5,6-tetrahydropyridine hydrochloride
- Pyridine, 1,2,3,6-tetrahydro-4-methyl-, hydrochloride
- 4-Methyl-1,2,3,6-tetrahydropyridine HCl
- ZCJOZBAPTJGKNC-UHFFFAOYSA-N
- SB22741
- AB0198776
- T5227
- 4-?Methyl-?1,?2,?3,?6-?tetrahydropyridine hydrochloride
- 4-Methyl-1,2,3,6-tetrahydropyridine--hydrogen chloride (1/1)
- 4-Methyl-1,2,3,6-tetrahydrop
- Pyridine, 1,2,3,6-tetrahydro-4-methyl-, hydrochloride (9CI)
- 4-methyl-1,2,3,6-tetrahydropyridine hydrochloride
物化性质
计算特性
氢键供体数量 |
2 |
氢键受体数量 |
1 |
可旋转化学键数量 |
0 |
重原子数量 |
8 |
复杂度 |
84.2 |
拓扑分子极性表面积 |
12 |
合成路线
合成路线:1 步
1.1
Reagents:
Methanol
;
reflux
参考文献:
Development of a Robust Process for the Preparation of High-Quality 4-Methylenepiperidine Hydrochloride
Zhu, Fuqiang
;
Aisa, Haji A.
;
Zhang, Jian;
Hu, Tianwen;
Sun, Changliang; et al,
Organic Process Research & Development,
2018,
22(1),
91-96
合成路线:1 步
参考文献:
N-(Imidazolylbutyl)benzenesulfonamide derivatives, their preparation, and therapeutic application as antithrombotics
,
World Intellectual Property Organization,
,
,
合成路线:1 步
1.1
Reagents:
1-Chloroethyl chloroformate
Solvents:
1,2-Dichloroethane
;
overnight, 80 °C
1.2
Reagents:
Methanol
;
6 h, 60 °C
1.3
Reagents:
Hydrochloric acid
Solvents:
Water
参考文献:
Preparation of 2-sulfonylamino-4-heteroarylbutyramides as CCR10 antagonists
,
World Intellectual Property Organization,
,
,
合成路线:1 步
1.1
Reagents:
Ammonium chloride
Solvents:
Water
参考文献:
Aza Diels-Alder reactions in aqueous solution: cyclocondensation of dienes with simple iminium salts generated under Mannich conditions
Larsen, Scott D.;
Grieco, Paul A.,
Journal of the American Chemical Society,
1985,
107(6),
1768-9
合成路线:1 步
1.1
Reagents:
Triphenylphosphine
,
Diethyl azodicarboxylate
Solvents:
Dichloromethane
参考文献:
Asymmetric hetero-Diels-Alder reactions in aqueous solution using amino acid esters as chiral auxiliaries
Waldmann, Herbert,
Liebigs Annalen der Chemie,
1989,
(3),
231-8
合成路线:1 步
1.1
Reagents:
Triphenylphosphine
,
Diethyl azodicarboxylate
1.2
Reagents:
Hydrochloric acid
Solvents:
Water
参考文献:
Amino acid methyl esters as chiral auxiliaries in aza-Diels-Alder reactions in aqueous solution
Waldmann, Herbert,
Angewandte Chemie,
1988,
100(2),
307-8