Basic information
- CAS
362706-26-1- Standard SMILES
COC(=O)C1CC(=O)CN1C(=O)OC(C)(C)C- InChIKey
UPBHYYJZVWZCOZ-UHFFFAOYSA-N- Molecular formula
- C11H17NO5
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.11067264
Names & identifiers
- Preferred name
- 1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-methyl 4-oxopyrrolidine-1,2-dicarboxylate
- English name
- 4-Oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
- Molecular formula
- C11H17NO5
- Molecular weight
- 243.26
Names & synonyms
362706-26-11-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylateDTXSID30401243RefChem:436611DTXCID20352098889-656-44-Oxo-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl esterN-Boc-4-oxo-L-proline methyl esterMFCD037013201-O-tert-butyl 2-O-methyl 4-oxopyrrolidine-1,2-dicarboxylate1-(tert-Butyl) 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester
Show more names
N-Boc-4-oxo-proline methyl esterN-Boc-4-oxo-DL-proline Methyl Ester1-tert-butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate(WX191708)1-(tert-Butyl) 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate - [B93921]4-Oxo-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) 2-methyl ester
1-tert-Butyl2-methyl4-oxopyrrolidine-1,2-dicarboxylateSY191883methyl 1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylatemethyl 1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2carboxylate1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylateSCHEMBL719489UPBHYYJZVWZCOZ-UHFFFAOYSA-NO1-tert-butyl O2-methyl 4-oxopyrrolidine-1,2-dicarboxylate
Database identifiers
- CAS
362706-26-1- PubChem CID
- 4251853
- DTXSID
DTXSID30401243- EC Number
- 889-656-4
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 333.1 · 333.1±42.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -3.86 · -3.86±0.40(Predicted)
- Appearance
- Yellow to brown Liquid
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers41 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海铱鑫医药科技有限公司13671725141 · [email protected]
Protheragen-ING+86-15618352007 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
南京菲泓科技有限公司025-58855213 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
Aladdin Scientific[email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南京一览生物科技有限公司13851808754 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Hangzhou Huarong Pharm Co., Ltd.571-86758373 +8613588754946 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
23 records
Compound notes
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