(S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Name: (S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS No.: 101410-18-8
Chemical Name: (S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Synonyms: 1-Pyrrolidineca;BOC-(S)-Pyrrolidine-2-Thiocarboxamide;(S)-1-Boc-pyrrolidine-2-carbothioamide;N-BOC-(S)-Pyrrolidine-2-thiocarboxamide;TERT-BUTYL2(S)-THIOCARBAMOYLPYRROLIDINE-1-CARBOXYLATE;tert-butyl (S)-2-carbamothioylpyrrolidine-1-carboxylate;(S)-tert-butyl 2-thiocarbaMoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate;2-Methyl-2-propanyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate;2R-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CBNumber: CB5386725
Molecular Formula: C10H18N2O2S
Formula Weight: 230.33
MOL File: 101410-18-8.mol

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(S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Property

Melting point:: 195-199 °C(Solv: tetrahydrofuran (109-99-9))
Boiling point:: 339.5±52.0 °C(Predicted)
Density: 1.191±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
pka: 12.98±0.20(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-6-4-5-7(12)8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)/t7-/m0/s1
InChIKey: KPAOKCBKJXBXNI-ZETCQYMHSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC[C@H]1C(N)=S

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: B810415
Product name: (S)-tert-Butyl2-Carbamothioylpyrrolidine-1-carboxylate
Packaging: 50mg
Price: $130
Updated: 2021/12/16

AK Scientific

Product number: B399
Product name: (S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylicacidtert-butylester
Packaging: 250mg
Price: $139
Updated: 2021/12/16

ChemScene

Product number: CS-0047030
Product name: tert-Butyl(S)-2-carbamothioylpyrrolidine-1-carboxylate
Purity: 97.26%
Packaging: 1g
Price: $85
Updated: 2021/12/16

Activate Scientific

Product number: AS36058
Product name: (S)-(1-Boc)-2-carbamothioylpyrrolidine
Purity: 95+% ee
Packaging: 1g
Price: $265
Updated: 2021/12/16

ChemScene

Product number: CS-0047030
Product name: tert-Butyl(S)-2-carbamothioylpyrrolidine-1-carboxylate
Purity: 97.26%
Packaging: 5g
Price: $270
Updated: 2021/12/16

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(S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Chemical Properties,Usage,Production

Synthesis

35150-07-3

117175-41-4

General procedure for the synthesis of tert-butyl (R)-2-thiocarboxamido pyrrolidine-1-carboxylate from N-tert-butoxycarbonyl-L-prolinamide: (S)-1-(tert-butoxycarbonyl)prolinamide (9.0 g, 42.0 mmol) and Lawesson's reagent (8.5 g, 21.0 mmol) were dissolved in anhydrous THF (55 mL) and the reaction was stirred for 3.5 hours at room temperature under nitrogen protection. The reaction was stirred at room temperature for 3.5 h under nitrogen protection. After completion of the reaction, the solvent was removed by distillation under reduced pressure. Saturated aqueous NaHCO3 (100 mL) was added to the residue and stirring was continued for 1 hour. The aqueous phase suspension was extracted with EtOAc/CH2Cl2 (1:1, 400 mL), the organic phase was washed with saturated aqueous NaHCO3 solution (2 x 100 mL), and the combined aqueous phases were then extracted with EtOAc/CH2Cl2 (200 mL). All organic extracts were combined, dried with Na2SO4 and concentrated under reduced pressure to give tert-butyl (S)-2-thiocarbonylpyrrolidine-1-carboxylate as a white solid (8.74 g, 90% yield) with a melting point (EtOAc) of 190-192 °C. [α]D -103.4 (c 1.00, CHCl3). IR (KBr) 3380, 3202, 2981, 2881, 1671, 1411, 1166 cm-1. 1H NMR (400 MHz, CDCl3) δ= 1.41-1.50 (m, 9H), 1.65-2.75 (m, 4H), 3.22- 3.74 (m, 2H), 4.67 (dd, J = 8.0 and 3.6 Hz, 1H) ppm. HRMS (ESI) m/z calculated value C10H19N2O2S (M + H) 231.1162, measured value 231.1161.

References

[1] Journal of the American Chemical Society, 2002, vol. 124, # 6, p. 916 - 917
[2] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 7, p. 2229 - 2233
[3] Tetrahedron Letters, 2011, vol. 52, # 42, p. 5435 - 5437
[4] Patent: US2011/65726, 2011, A1. Location in patent: Page/Page column 12
[5] Journal of Medicinal Chemistry, 2017, vol. 60, # 1, p. 228 - 247

(S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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(S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers

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View Lastest Price from (S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER manufacturers

Career Henan Chemical Co

Product: (S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 101410-18-8
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 200kg
Release date: 2020-01-08

101410-18-8, (S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERRelated Search:

(S)-1-N-Boc-2-methylpiperazine D-1-N-Boc-prolinamide L-Prolinamide TERT-BUTYL 2-AMINO-2-THIOXOETHYLCARBAMATE 2-AMINO-THIOPROPIONAMIDE (S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER (R)-2-(Aminomethyl)-1-N-Boc-pyyrolidine (1-BOC-PYRROLIDINE)-2-CARBOTHIOAMIDE BOC-L-ALANINE THIOAMIDE (S)-1-N-Boc-2-(aminomethyl)pyrrolidine N-Boc-cis-4-Hydroxy-L-proline methyl ester (S)-Methyl-2-Boc-AMino-4-pentenoic acid (2R,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid N-BOC-SERINOL, 97 N-Boc-trans-4-amino-L-proline methyl ester hydrochloride N-Boc-Trans-4-Hydroxy-D-proline methyl ester N-BOC-CYCLOHEXAMIDE N-Boc-N-methyl-(S)-2-allylglycine

2R-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

(S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

TERT-BUTYL2(S)-THIOCARBAMOYLPYRROLIDINE-1-CARBOXYLATE

1-Pyrrolidinecarboxylic acid, 2-(aMinothioxoMethyl)-, 1,1-diMethylethyl ester, (2S)-

1-Pyrrolidineca

(S)-tert-butyl 2-thiocarbaMoylpyrrolidine-1-carboxylate

(S)-2-Thiocarbamoylpyrrolidine-1-carboxylic acid tert-butyl este

tert-butyl (S)-2-carbamothioylpyrrolidine-1-carboxylate

(S)-tert-butyl2-carbamothioylpyrrolidine-1-carboxylate(WX191807)

tert-butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate

(S)-1-Boc-pyrrolidine-2-carbothioamide

2-Methyl-2-propanyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate

N-BOC-(S)-Pyrrolidine-2-thiocarboxamide

(S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL...

BOC-(S)-Pyrrolidine-2-Thiocarboxamide

101410-18-8

101410-18-0