Basic information
- CAS
51077-01-1- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1- InChIKey
CGPHGPCHVUSFFA-NSHDSACASA-N- Molecular formula
- C12H15NO4S
- Average molar mass
- 269.32 g/mol
Names & identifiers
- Preferred name
- (2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
- English name
- TOS-PRO-OH
- Molecular formula
- C12H15NO4S
- Molecular weight
- 269.32
Names & synonyms
51077-01-1(2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acidRefChem:397787687-372-3Tos-Pro-OHTosyl-L-proline1-Tosyl-L-ProlineN-Tosyl-l-prolineMFCD00238392n-tosyl-(s)-prolineTos-Pro-OH, 97%(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Show more names
TOS-PROLINETos-L-Pro-OHN-p-Tosyl-L-prolineTOS-PRO-OH USP/EP/BPTosyl-L-proline≥ 99% (TLC)
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid1-[(4-Methylphenyl)sulfonyl]prolineAKOS0252893841-[(4-Methylphenyl)sulfonyl]proline #CS-0201855n-toluenesulfonyl-l-prolineN-tosyl-prolinep-methylphenylsulfonyl-L-pr
Database identifiers
- CAS
51077-01-1- PubChem CID
- 691957
- EC Number
- 687-372-3
- Nikkaji
- J1.227.395I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Melting point
- 80 · 80-90°C
- Boiling point
- 467.6 · 467.6±55.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- Low Melting Solid
- pka
- 3.46 · 3.46±0.20(Predicted)
- color
- Off-white to light yellow
- optical activity
- -83.436 ° · -83.436° (C=1.00 g/100ml, ETOH)
- Major Application
- peptide synthesis
- InChI
- 1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m0/s1
- InChIKey
- CGPHGPCHVUSFFA-NSHDSACASA-N
- SMILES
- Cc1ccc(cc1)S(=O)(=O)N2CCC[C@H]2C(O)=O
- CAS DataBase Reference
- 51077 · 51077-01-1
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 1
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310a-P321-P405-P501a
Chemistry & industry
Applications
Usespeptide synthesis
Suppliers53 total
江苏生康迈翔科技有限公司18217475093 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Related reactions
11 records
Compound notes
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