4-tert-Butoxycarbonylbenzoic acid

Modify Date: 2024-01-11 15:24:58

4-tert-Butoxycarbonylbenzoic acid Structure
4-tert-Butoxycarbonylbenzoic acid structure
Common Name 4-tert-Butoxycarbonylbenzoic acid
CAS Number 20576-82-3 Molecular Weight 222.237
Density 1.2±0.1 g/cm3 Boiling Point 351.8±25.0 °C at 760 mmHg
Molecular Formula C12H14O4 Melting Point 209-212(dec.)ºC
MSDS N/A Flash Point 132.8±16.7 °C

 Names

Name 4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 351.8±25.0 °C at 760 mmHg
Melting Point 209-212(dec.)ºC
Molecular Formula C12H14O4
Molecular Weight 222.237
Flash Point 132.8±16.7 °C
Exact Mass 222.089203
PSA 63.60000
LogP 3.53
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.533

 Safety Information

Hazard Codes Xi
HS Code 2918990090

 Synthetic Route

~93%

4-tert-Butoxycarbonylbenzoic acid Structure

4-tert-Butoxyca...

CAS#:20576-82-3

Literature: Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US5232928 A1, 1993 ; US 5232928 A

~85%

4-tert-Butoxycarbonylbenzoic acid Structure

4-tert-Butoxyca...

CAS#:20576-82-3

Literature: Adlington; Baldwin; Becker; Chen; Cheng; Cooper; Hermann; Howe; McCoull; McNulty; Neubauer; Pritchard Journal of Medicinal Chemistry, 2001 , vol. 44, # 10 p. 1491 - 1508

~39%

4-tert-Butoxycarbonylbenzoic acid Structure

4-tert-Butoxyca...

CAS#:20576-82-3

Literature: Mineno, Tomoko; Ueno, Tasuku; Urano, Yasuteru; Kojima, Hirotatsu; Nagano, Tetsuo Organic Letters, 2006 , vol. 8, # 26 p. 5963 - 5966

~%

4-tert-Butoxycarbonylbenzoic acid Structure

4-tert-Butoxyca...

CAS#:20576-82-3

Literature: Journal of Medicinal Chemistry, , vol. 43, # 21 p. 3852 - 3861

~%

4-tert-Butoxycarbonylbenzoic acid Structure

4-tert-Butoxyca...

CAS#:20576-82-3

Literature: Journal of Medicinal Chemistry, , vol. 44, # 10 p. 1491 - 1508

~35%

4-tert-Butoxycarbonylbenzoic acid Structure

4-tert-Butoxyca...

CAS#:20576-82-3

Literature: Kennedy, Andrew J.; Mathews, Thomas P.; Kharel, Yugesh; Field, Saundra D.; Moyer, Morgan L.; East, James E.; Houck, Joseph D.; Lynch, Kevin R.; MacDonald, Timothy L. Journal of Medicinal Chemistry, 2011 , vol. 54, # 10 p. 3524 - 3548

 Customs

HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

terephthalic acid-mono-t-butyl ester
1,4-Benzenedicarboxylic acid, mono(1,1-dimethylethyl) ester
tert-Butyl 4-carboxybenzoate
4-(tert-Butoxycarbonyl)benzoic acid
4-{[(2-Methyl-2-propanyl)oxy]carbonyl}benzoic acid