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  4. 4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯 | 871726-73-7

871726-73-7 (4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯,tert-butyl 1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate)

快速询单
结构式：
4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯结构式图片|871726-73-7结构式图片
4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯MOL文件
CAS号：
871726-73-7
中文名称：
4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯
英文名称：
tert-butyl 1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
分子式：
C11H17N3O2
分子量：
223.271582365036
相关分类：
溶剂及有机化学品 > 有机化合物 > Organoheterocyclic compounds > Azoles > Pyrazoles

4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯(871726-73-7)名称与标识符

名称

中文别名：
1,4,5,7-四氢-6H-吡唑并[3,4-C]吡啶-6-羧酸叔丁酯;4,5-二氢-1H-吡唑并[3,4-C]吡啶-6(7H)‐羧酸;4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯;
英文别名：
tert-Butyl 4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate;4,5‐DIHYDRO‐1H‐PYRAZOLO[3,4‐C]PYRIDINE‐6(7H)‐CARBOXYLATE;tert-butyl 1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;2,4,5,7-Tetrahydro-pyrazolo[3,4-c]pyridine-6-carboxylic acid tert-butyl ester;1,4,5,7-TETRAHYDRO-6H-PYRAZOLO[3,4-C]PYRIDINE-6-CARBOXYLIC ACID TERT-BUTYL ESTER;tert-Butyl 4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate;XSHYMCSSTAWZOW-UHFFFAOYSA-N;TERT-BUTYL 4,5-DI;1,4,5,7-Tetrahydro-pyrazolo[3,4-c]pyridine-6-carboxylic acid tert-butyl ester;1,1-Dimethylethyl 1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate (ACI);tert-Butyl 1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate;6-BOC-2,4,5,7-Tetrahydro-pyrazolo[3,4-c]pyridine;AKOS015920396;DB-076864;DS-13162;SCHEMBL8223979;SY023379;6-Boc-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine;T-BUTYL 4,5-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-6(7H)-CARBOXYLATE;F77621;AB62956;DTXSID20720975;MFCD11044813;TERT-BUTYL 1H,4H,5H,6H,7H-PYRAZOLO[3,4-C]PYRIDINE-6-CARBOXYLATE;DB-144981;MFCD22381916;SCHEMBL19005682;tert-butyl 2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-6-carboxylate;TERT-BUTYL 4,5-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-;2088956-97-0;tert-Butyl4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate;Tert-butyl 2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate;871726-73-7;CS-B1004;AC-28407;

标识符

MDL：
MFCD11044813
InChIKey：
XSHYMCSSTAWZOW-UHFFFAOYSA-N
Inchi：
1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-8-6-12-13-9(8)7-14/h6H,4-5,7H2,1-3H3,(H,12,13)
SMILES：
O=C(N1CCC2=C(NN=C2)C1)OC(C)(C)C

4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯(871726-73-7)物化性质

实验特性

  • LogP : 1.64080
  • PSA : 58.22000
  • 沸点 : 387.9℃ at 760 mmHg
  • 密度 : 1.200

计算特性

  • 精确分子量 : 223.13200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 223.132076794g/mol
  • 重原子数量 : 16
  • 复杂度 : 275
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值（XlogP） : 1
  • 拓扑分子极性表面积 : 58.2

4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯(871726-73-7)海关数据

海关编码：
2933990090
海关数据：

中国海关编码：

2933990090

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%

4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯(871726-73-7)推荐厂家 更多厂家(25)

公司名称手机号/电话联系人QQ微信询单
铼博（上海）生化科技有限公司 13311756052
021-60536361 13311756052 13311756131		张经理 2851717387
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西安聚仁合鑫医药科技有限公司 13629269978范恒飞 3061235715
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华阴市赛普生物科技有限公司 18710790830张经理 282804453
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上海瀚思化工有限公司 18939883912
021-34536277		顾经理 3003949364
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上海一基实业有限公司 13311756131
021-60548336 QQ：2355265332 QQ:2851717387		胡经理 2355265332
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上海一基实业有限公司 13311756052
021-60526763 13311756052 13311756131		胡经理 2355265332
询单
上海绩祥生物科技有限公司 13093077543陆经理 3985448220
询单
南通众合化工新材料有限公司 18762756250
0513-55074056		胡经理 2369399482
询单
上海腾准生物科技有限公司 19821570922
021-34053661		张经理 3003871136
询单
金锦乐（湖南）化学有限公司 金锦乐 1226360695
询单

4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯(871726-73-7)合成路线

合成路线：1 步
871726-72-6
68%
871726-73-7
反应条件：
参考文献：
Synthesis and antiproliferative activity of 3-(substituted)-4,5,6,7-tetrahydro-6-(substituted)-1H-pyrazolo[3,4-c]pyridine derivatives
Pawar, Chandrakant; et al, European Journal of Chemistry, 2017, 8(4), 400-409
合成路线：1 步
871792-61-9
24424-99-5
89%
871726-73-7
反应条件：
参考文献：
A Continuous Flow Strategy for the Facile Synthesis and Elaboration of Semi-Saturated Heterobicyclic Fragments
Luise, Nicola; et al, European Journal of Organic Chemistry, 2019, 2019(6), 1341-1349
合成路线：2 步
2276666-17-0
871726-73-7
反应条件：
参考文献：
A Continuous Flow Strategy for the Facile Synthesis and Elaboration of Semi-Saturated Heterobicyclic Fragments
Luise, Nicola; et al, European Journal of Organic Chemistry, 2019, 2019(6), 1341-1349
合成路线：2 步
98977-36-7
4637-24-5
871726-73-7
反应条件：
参考文献：
Synthesis and antiproliferative activity of 3-(substituted)-4,5,6,7-tetrahydro-6-(substituted)-1H-pyrazolo[3,4-c]pyridine derivatives
Pawar, Chandrakant; et al, European Journal of Chemistry, 2017, 8(4), 400-409

4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯(871726-73-7)参考资料

Reaxys RN：
PubChem CID：
57345832

4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯(871726-73-7) MSDS

基础信息

  Material Safety Data Sheet
Section 1. Identi?cation of the substance
    Product Name:      t-Butyl 4,5-Dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate    
    Synonyms:        tert-butyl 1H,4H,5H,7H-pyrazolo[3,4-c]pyridine-6-carboxylate    
Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
Section 3. Composition/information on ingredients.
    Ingredient name:        t-Butyl 4,5-Dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate    
    CAS number:        871726-73-7    
Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    
Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.
Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.
Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels, refrigerated.
    Storage:
Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section 9. Physical and chemical properties
    Appearance:        Not speci?ed    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C11H17N3O2    
    Molecular weight:        223.3    
Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.
Section 11. Toxicological information
    No data.
Section 12. Ecological information
    No data.
Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.
Section 14. Transportation information
    Non-harzardous for air and ground transportation.
Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

目录

1.基本信息 2.名称与标识符 2.1.名称 2.2.标识符 3.物化性质 3.1.实验特性 3.2.计算特性 4.安全信息 5.海关数据 6.推荐厂家 7.合成路线 8.参考资料 9.4,5-二氢-1H-吡唑并[3,4-c]吡啶-6(7h)-羧酸叔丁酯 MSDS
相关化合物
1280210-79-8(DPPIV抑制剂合成中间体1) 951127-35-8(tert-Butyl 3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate) 1251000-36-8(tert-butyl 3-(aminomethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyrid ine-6-carboxylate) 657428-42-7(4,6-二氢-1H-吡咯[3,4-C]吡唑-5-甲酸丁酯) 796966-15-9(（1R,4R）-2,5-二苯基二环[2.2.2]辛-2,5-二烯) 80312-69-2(Boc-Ser-NH2) 80385-33-7(3-PHENOXY-1-PIPERAZIN-1-YL-PROPAN-1-ONE X HCL) 80365-01-1((2-ethoxy-3-methoxybenzyl)amine(SALTDATA: HCl))
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