Basic information
- CAS
890849-27-1- Standard SMILES
COC(=O)CC1CCN(C(=O)OC(C)(C)C)C1- InChIKey
LEOQXSJKDMPQCT-UHFFFAOYSA-N- Molecular formula
- C12H21NO4
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.14705815
Names & identifiers
- Preferred name
- Tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
- English name
- Methyl 1-Boc-3-pyrrolidine acetate
- Molecular formula
- C12H21NO4
- Molecular weight
- 243.3
Names & synonyms
890849-27-1tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate3-PYRROLIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-, METHYL ESTERMFCD18910910Methyl 1-Boc-3-pyrrolidine acetatetert-butyl 3-(2-methoxy-2-oxo-ethyl)pyrrolidine-1-carboxylateSCHEMBL852498DTXSID706233613-Pyrrolidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, (3S)-LEOQXSJKDMPQCT-UHFFFAOYSA-NALBB-038064AKOS015898152
Show more names
Methyl 1-Boc-3-pyrrolidin...1-Boc-3-pyrrolidineacetic acid Methyl ester1-[(1,1-Imethylethoxy)Carbonyl]-3-Pyrrolidineacetic Acid Methyl Ester3-Methoxycarbonylmethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
PB16853Methyl 2-(1-Boc-3-pyrrolidinyl)acetateAS-33468SY097282CS-0048387EN300-783077F336684tert-butyl3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
Database identifiers
- CAS
890849-27-1- PubChem CID
- 22184663
- DTXSID
DTXSID70623361- EC Number
- 192-423-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 304.8 · 304.8±15.0 °C(Predicted)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.09 · -2.09±0.40(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 303 · H303-H313-H333
- Precautionary statements
- 312 · P312-P304+P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H313-H333
- Precautionary statements
- P312-P304+P312
Chemistry & industry
Suppliers31 total
韶远科技(上海)有限公司4000665055 · [email protected]
苏州启航生物科技有限公司18151111370 · [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]
Aladdin Scientific[email protected]
苏州艾缇克药物化学有限公司0512-68323967 18015559028 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海冉创生物科技有限公司021-18217521994; 18217521994 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
苏州艾瑞缇克生物科技有限公司18168183658 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
山东盛安贝新能源有限公司南京分公司18761883648 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
山东胜蓝化工科技有限公司17806220283 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
4 records
Compound notes
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