N-(2-methylbut-3-yn-2-yl)aniline

Modify Date: 2025-11-25 19:37:53

N-(2-methylbut-3-yn-2-yl)aniline Structure
N-(2-methylbut-3-yn-2-yl)aniline structure
Common Name N-(2-methylbut-3-yn-2-yl)aniline
CAS Number 7471-09-2 Molecular Weight 159.22800
Density 1.003g/cm3 Boiling Point 262.4ºC at 760 mmHg
Molecular Formula C11H13N Melting Point N/A
MSDS N/A Flash Point 114.5ºC

 Names

Name N-(2-methylbut-3-yn-2-yl)aniline
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.003g/cm3
Boiling Point 262.4ºC at 760 mmHg
Molecular Formula C11H13N
Molecular Weight 159.22800
Flash Point 114.5ºC
Exact Mass 159.10500
PSA 12.03000
LogP 2.58330
Index of Refraction 1.571
InChIKey REHYMUARMNSKGV-UHFFFAOYSA-N
SMILES C#CC(C)(C)Nc1ccccc1

 Safety Information

HS Code 2921420090

 Synthetic Route

~64%

N-(2-methylbut-3-yn-2-yl)aniline Structure

N-(2-methylbut-...

CAS#:7471-09-2

Literature: Ligand Pharmaceuticals Incorporated Patent: US5693647 A1, 1997 ;

~80%

N-(2-methylbut-3-yn-2-yl)aniline Structure

N-(2-methylbut-...

CAS#:7471-09-2

Literature: Cooper; Lucas; Taylor; Ward; Williamson Synthesis, 2001 , # 4 p. 621 - 625

~%

N-(2-methylbut-3-yn-2-yl)aniline Structure

N-(2-methylbut-...

CAS#:7471-09-2

Literature: Al-Awar, Rima Salim; Hecker, Kyle Andrew; Ray, James Edward; Huang, Jianping; Joseph, Sajan; Li, Tiechao; Paal, Michael; Rathnachalam, Radhakrishnan; Shih, Chuan; Waid, Philip Parker; Zhou, Xun; Zhu, Guoxin Patent: US2003/229026 A1, 2003 ; Location in patent: Page 21 ; US 20030229026 A1

~%

N-(2-methylbut-3-yn-2-yl)aniline Structure

N-(2-methylbut-...

CAS#:7471-09-2

Literature: Wolf; Ramin Justus Liebigs Annalen der Chemie, 1959 , vol. 626, p. 47,49

~82%

N-(2-methylbut-3-yn-2-yl)aniline Structure

N-(2-methylbut-...

CAS#:7471-09-2

Literature: Geri, Roberto; Polizzi, Carmela; Lardicci, Luciano; Caporusso, Anna Maria Gazzetta Chimica Italiana, 1994 , vol. 124, # 6 p. 241 - 248

~%

N-(2-methylbut-3-yn-2-yl)aniline Structure

N-(2-methylbut-...

CAS#:7471-09-2

Literature: Cooper; Lucas; Taylor; Ward; Williamson Synthesis, 2001 , # 4 p. 621 - 625

~%

N-(2-methylbut-3-yn-2-yl)aniline Structure

N-(2-methylbut-...

CAS#:7471-09-2

Literature: Hamann, Lawrence G.; Higuchi, Robert I.; Zhi, Lin; Edwards, James P.; Wang, Xiao-Ning; Marschke, Keith B.; Kong, James W.; Farmer, Luc J.; Jones, Todd K. Journal of Medicinal Chemistry, 1998 , vol. 41, # 4 p. 623 - 639

~%

N-(2-methylbut-3-yn-2-yl)aniline Structure

N-(2-methylbut-...

CAS#:7471-09-2

Literature: Hamann, Lawrence G.; Higuchi, Robert I.; Zhi, Lin; Edwards, James P.; Wang, Xiao-Ning; Marschke, Keith B.; Kong, James W.; Farmer, Luc J.; Jones, Todd K. Journal of Medicinal Chemistry, 1998 , vol. 41, # 4 p. 623 - 639

 Customs

HS Code 2921420090
Summary HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-methyl-3-phenylamino-1-butyne
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