38314-49-7

• 常用中文名：8-氯-5-氧代-1-对甲苯磺酰基-2,3,4,5-四氢-1H-苯并氮杂卓
• 常用英文名：8-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one
• CAS号：38314-49-7
• 分子式：C₁₇H₁₆ClNO₃S
• 分子量：349.83200
• 发布时间：2018-08-08 20:02:52
• 更新时间：2024-01-04 19:54:23

名称

• 中文名: 8-氯-5-氧代-1-对甲苯磺酰基-2,3,4,5-四氢-1H-苯并氮杂卓
• 英文名: 8-chloro-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
• 英文别名: 8-chloro-5-oxo-2,3,4,5-tetrahydro-1-p-toluenesulfonyl-1H-1-benzazepine; 8-Chlor-1,2,3,4-tetrahydro-1-p-tolylsulfonyl-1-benzazepin-5-on

物化性质

• 密度: 1.36g/cm3
• 沸点: 535.3ºC at 760 mmHg
• 分子式: C₁₇H₁₆ClNO₃S
• 分子量: 349.83200
• 闪点: 277.5ºC
• 精确质量: 349.05400
• PSA: 62.83000
• LogP: 4.96600
• 折射率: 1.619
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.5

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:2

  5.互变异构体数量:2

  6.拓扑分子极性表面积:62.8

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:537

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

安全

• 海关编码: 2933990090

合成路线

38314-47-5 ~49% 38314-49-7

文献：Kondo, Kazumi; Ogawa, Hidenori; Yamashita, Hiroshi; Miyamoto, Hisashi; Tanaka, Michinori; Nakaya, Kenji; Kitano, Kazuyoshi; Yamamura, Yoshitaka; Nakamura, Shigeki; Onogawa, Toshiyuki; Mori, Toyoki; Tominaga, Michiaki Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 8 p. 1743 - 1754

5900-58-3 ~% 38314-49-7

文献：Nishijima, Kazumi; Nishida, Hidemitsu; Yamashita, Yoshiaki; Ito, Manabu; Onuki, Yoshiaki; Mizota, Masahiro; Miyano, Sotaro European Journal of Medicinal Chemistry, 2000 , vol. 35, # 2 p. 227 - 240

29247-79-8 ~% 38314-49-7

文献：Nishijima, Kazumi; Nishida, Hidemitsu; Yamashita, Yoshiaki; Ito, Manabu; Onuki, Yoshiaki; Mizota, Masahiro; Miyano, Sotaro European Journal of Medicinal Chemistry, 2000 , vol. 35, # 2 p. 227 - 240

98-59-9 ~% 38314-49-7

文献：Nishijima, Kazumi; Nishida, Hidemitsu; Yamashita, Yoshiaki; Ito, Manabu; Onuki, Yoshiaki; Mizota, Masahiro; Miyano, Sotaro European Journal of Medicinal Chemistry, 2000 , vol. 35, # 2 p. 227 - 240

143771-90-8 ~% 38314-49-7

文献：Nishijima, Kazumi; Nishida, Hidemitsu; Yamashita, Yoshiaki; Ito, Manabu; Onuki, Yoshiaki; Mizota, Masahiro; Miyano, Sotaro European Journal of Medicinal Chemistry, 2000 , vol. 35, # 2 p. 227 - 240

6280-88-2 ~% 38314-49-7

文献：Kondo, Kazumi; Ogawa, Hidenori; Yamashita, Hiroshi; Miyamoto, Hisashi; Tanaka, Michinori; Nakaya, Kenji; Kitano, Kazuyoshi; Yamamura, Yoshitaka; Nakamura, Shigeki; Onogawa, Toshiyuki; Mori, Toyoki; Tominaga, Michiaki Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 8 p. 1743 - 1754

42087-80-9 ~% 38314-49-7

文献：Kondo, Kazumi; Ogawa, Hidenori; Yamashita, Hiroshi; Miyamoto, Hisashi; Tanaka, Michinori; Nakaya, Kenji; Kitano, Kazuyoshi; Yamamura, Yoshitaka; Nakamura, Shigeki; Onogawa, Toshiyuki; Mori, Toyoki; Tominaga, Michiaki Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 8 p. 1743 - 1754

上下游产品

上游产品  6
38314-47-5 5900-58-3 29247-79-8 98-59-9
6280-88-2 42087-80-9
下游产品  1
116815-03-3

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%