Cas no 404586-94-3 (2(1H)-Isoquinolinecarboxylicacid, 1-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester)
404586-94-3 structure
Product Name:2(1H)-Isoquinolinecarboxylicacid, 1-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester
CAS No:404586-94-3
MF:C18H25NO3
MW:303.396005392075
CID:325983
PubChem ID:24884372
Update Time:2025-04-19
2(1H)-Isoquinolinecarboxylicacid, 1-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Isoquinolinecarboxylicacid, 1-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester
- Boc-1-Tert-Butoxy-1,2-Dihydroisoquinolin
- BOC-1-TERT-BUTOXY-1,2-DIHYDROISOQUINOLINE
- tert-butyl 1-[(2-methylpropan-2-yl)oxy]-1H-isoquinoline-2-carboxylate
- 1-t-butoxy-2-t-butoxycarbonyl-1,2-dihydroisoquinoline
- 1-tert-Butoxy-2-butoxycarbonyl-1,2-dihydroisoquinoline
- BBDI
- SCHEMBL3855648
- Boc-1-tert-butoxy-1,2-dihydroisoquinoline, 95%
- DTXSID90459225
- tert-Butyl 1-(tert-butoxy)isoquinoline-2(1h)-carboxylate
- CS-0135481
- 404586-94-3
- DB-432859
-
- MDL： MFCD08276797
- Inchi： 1S/C18H25NO3/c1-17(2,3)21-15-14-10-8-7-9-13(14)11-12-19(15)16(20)22-18(4,5)6/h7-12,15H,1-6H3
- InChI Key： RKFZTABXZXYIOJ-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C1C2C=CC=CC=2C=CN1C(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 303.18300
- Monoisotopic Mass: 303.18344366g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 431
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 38.8?2
Experimental Properties
- Density: 1.09
- Melting Point: 112-116?°C
- Boiling Point: 412.9°C at 760 mmHg
- Flash Point: 203.5°C
- Refractive Index: 1.543
- PSA: 38.77000
- LogP: 4.65960
2(1H)-Isoquinolinecarboxylicacid, 1-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H302
- Hazardous Material transportation number：UN 2811 6.1/PG 3
- WGK Germany：3
- Hazard Category Code： 22
- Safety Instruction： S26; S36/37; S45; S60; S61
-
Hazardous Material Identification：
- Risk Phrases：R25; R36/37/38; R50/53
2(1H)-Isoquinolinecarboxylicacid, 1-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1206121-5g |
tert-Butyl 1-(tert-butoxy)isoquinoline-2(1H)-carboxylate |
404586-94-3 | 98% | 5g |
￥854.00 | 2024-05-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1206121-25g |
tert-Butyl 1-(tert-butoxy)isoquinoline-2(1H)-carboxylate |
404586-94-3 | 98% | 25g |
￥4621.00 | 2024-05-14 | |
| Chemenu | CM560785-1g |
tert-Butyl 1-(tert-butoxy)isoquinoline-2(1H)-carboxylate |
404586-94-3 | 95%+ | 1g |
$*** | 2023-03-30 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-252499-5 g |
Boc-1-tert-butoxy-1,2-dihydroisoquinoline, |
404586-94-3 | 5g |
￥286.00 | 2023-07-11 |
2(1H)-Isoquinolinecarboxylicacid, 1-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester Production Method
2(1H)-Isoquinolinecarboxylicacid, 1-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester Related Literature
-
1. A new method for a kinetic study of reactions between di-isocyanates and alcohols. Part 1. Symmetrical di-isocyanatesAdrian A. Caraculacu,Ion Agherghinei,Mariana Ga?par,Cristina Prisacariu J. Chem. Soc. Perkin Trans. 2 1990 1343
-
Fangyu Du,Qifan Zhou,Yang Fu,Hanqi Zhao,Yuanguang Chen,Guoliang Chen New J. Chem. 2019 43 6549
-
W. G. Oakes,R. B. Richards Trans. Faraday Soc. 1946 42 A197
-
4. Conformational analysis of α-alkyl-ββ-di-isopropylstyrenes. A dynamic 1H nuclear magnetic resonance spectroscopic and molecular mechanics investigationIngrid Pettersson,Ulf Berg J. Chem. Soc. Perkin Trans. 2 1985 1365
404586-94-3 (2(1H)-Isoquinolinecarboxylicacid, 1-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Gold Member
Audited Supplier
CN Supplier
Bulk
