CAS No.214834-18-1,tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	214834-18-1
Name:	tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate
Article Data:	24

Formula:	C₁₁H₂₀N₂O₂S
Molecular Weight:	244.358
Synonyms:	1-tert-Butoxycarbonylpiperidine-4-carbothioamide;1-tert-Butoxycarbonylpiperidyl-4-carbothioamide;4-Thiocarbamoylpiperidine-1-carboxylic acid tert-butyl ester;tert-Butyl4-(aminocarbothioyl)tetrahydropyridine-1-carboxylate;tert-Butyl4-thiocarbamoylpiperidine-1-carboxylate;
Density:	1.158 g/cm³
Melting Point:	130 °C
Boiling Point:	355.992 °C at 760 mmHg
Flash Point:	169.098 °C
Hazard Symbols:	Xn, Xi
Risk Codes:	20/21/22-36/37/38-22
Safety:	26-36/37/39-22
PSA:	87.65000
LogP:	2.55780

Synthetic route

: 91419-48-6
4-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester

: 214834-18-1
tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Conditions

Conditions	Yield
With Lawessons reagent In 1,2-dimethoxyethane; dichloromethane at 20℃;	92%
With Lawessons reagent In 1,2-dimethoxyethane; dichloromethane at 20℃;	92%
With Lawessons reagent In 1,2-dimethoxyethane; dichloromethane at 20℃; for 1.33333h;	82%

: 91419-52-2
1-tert-butoxycarbonyl-4-cyanopiperidine

: 214834-18-1
tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Conditions

Conditions	Yield
With sodium hydrogen sulfide; ammonium chloride In N,N-dimethyl-formamide; mineral oil at 20℃; for 72h;	95%
With sodium hydrogen sulfide; ammonium chloride In N,N-dimethyl-formamide at 20℃; for 72h;	95%
With sodium hydrogen sulfide; ammonium chloride In N,N-dimethyl-formamide at 20℃; for 72h;

: 39546-32-2
4-carboxamidopiperidine

: 214834-18-1
tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dmap / dichloromethane / 2 h / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 1.33 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: dmap / dichloromethane / 2 h / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 1.33 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 5 h / 1 °C 2: Lawessons reagent / tetrahydrofuran / 3 h / Reflux; Inert atmosphere View Scheme

: 24424-99-5
di-tert-butyl dicarbonate

: 214834-18-1
tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dmap / dichloromethane / 2 h / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 1.33 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: dmap / dichloromethane / 2 h / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 1.33 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 5 h / 1 °C 2: Lawessons reagent / tetrahydrofuran / 3 h / Reflux; Inert atmosphere View Scheme

: 84358-13-4
N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

: 214834-18-1
tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 1,1-carbonyldiimidazole / tetrahydrofuran / 1.5 h / 20 °C 1.2: 2.50 g / NH3 / methanol; tetrahydrofuran / 0 - 20 °C 2.1: 38 percent / Lawesson's reagent / tetrahydrofuran / 3 h / Heating View Scheme
Multi-step reaction with 2 steps 1.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 16 h / 0 - 20 °C 1.2: 20 h / 0 - 20 °C 2.1: Lawessons reagent / tetrahydrofuran / 22 h / 20 °C / Reflux View Scheme
Multi-step reaction with 2 steps 1.1: dicyclohexyl-carbodiimide / dichloromethane / 0.5 h 1.2: 12 h / 20 °C 2.1: Lawessons reagent / 1,4-dioxane / 4 h / 70 °C View Scheme

phosphorous pentasulfide: phosphorous pentasulfide

: 91419-48-6
4-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester

: 214834-18-1
tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Conditions

Conditions	Yield
In 1,4-dioxane; hexane

: 39546-32-2
4-carboxamidopiperidine

: 24424-99-5
di-tert-butyl dicarbonate

: 214834-18-1
tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dmap / acetonitrile / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 20 °C View Scheme
Multi-step reaction with 2 steps 1: dmap / acetonitrile / 20 °C 2: Lawessons reagent / dichloromethane; 1,2-dimethoxyethane / 20 °C View Scheme

: 498-94-2
isonipecotic acid

: 214834-18-1
tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydroxide / water; tert-butyl alcohol / 3 h / 10 - 20 °C 2.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 16 h / 0 - 20 °C 2.2: 20 h / 0 - 20 °C 3.1: Lawessons reagent / tetrahydrofuran / 22 h / 20 °C / Reflux View Scheme

: 214834-18-1
tert-butyl 4-carbamothioylpiperidine-1-carboxylate

: 534-07-6
1,3-Dichloroacetone

: 650579-82-1
1,1-dimethylethyl 4-[4-(chloromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

Conditions

Conditions	Yield
With magnesium sulfate; magnesium carbonate In acetone for 12h; Reflux; Inert atmosphere;	92%
With magnesium sulfate; magnesium carbonate In acetone at 65℃; for 4h;	92.7%
With magnesium sulfate; magnesium carbonate In acetone Heating / reflux;

: 214834-18-1
tert-butyl 4-carbamothioylpiperidine-1-carboxylate

: 70-23-5
ethyl Bromopyruvate

: 365413-31-6
ethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylate

Conditions

Conditions	Yield
In methanol for 4h; Reflux;	96.5%
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; ethyl Bromopyruvate In DMF (N,N-dimethyl-formamide) at 0 - 20℃; Stage #2: With triethylamine In DMF (N,N-dimethyl-formamide)	82%
Stage #1: tert-butyl 4-carbamothioylpiperidine-1-carboxylate; ethyl Bromopyruvate In ethanol at 0 - 20℃; Stage #2: With triethylamine In ethanol	74.2%

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Specification

The tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate with its cas register number is 214834-18-1. It also can be called as 1-tert-Butoxycarbonylpiperidine-4-carbothioamide and the IUPAC Name about this chemical is tert-butyl 4-carbamothioylpiperidine-1-carboxylate. It belongs to the following product categories, such as Pyrans, Piperidines &Piperazines and Pyrans, Piperidines & Piperazines.

Physical properties about tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate are: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 1.629; (3)ACD/LogD (pH 7.4): 1.629; (4)ACD/BCF (pH 5.5): 10.18; (5)ACD/BCF (pH 7.4): 10.181; (6)ACD/KOC (pH 5.5): 183.215; (7)ACD/KOC (pH 7.4): 183.234; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 87.65Å²; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 66.807 cm³; (14)Molar Volume: 210.987 cm³; (15)Polarizability: 26.484x10^-24cm³; (16)Surface Tension: 50.887 dyne/cm; (17)Enthalpy of Vaporization: 60.12 kJ/mol

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed, also it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection, and also not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=S)N
(2)InChI: InChI=1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-6-4-8(5-7-13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)
(3)InChIKey: SCGQNJHAAYUQOO-UHFFFAOYSA-N