214834-18-1 (4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯,Tert-butyl 4-carbamothioylpiperidine-1-carboxylate)

快速询单

结构式：

4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯MOL文件

CAS号：

214834-18-1

中文名称：

4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯

英文名称：

Tert-butyl 4-carbamothioylpiperidine-1-carboxylate

分子式：

C₁₁H₂₀N₂O₂S

分子量：

244.353701591492

4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯(214834-18-1)名称与标识符

名称

中文别名：

4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯;N-Boc-哌啶-4-硫代甲酰胺;1-叔丁氧羰基哌啶-4-硫代甲酰胺;BOC-哌啶-4-硫代甲酰胺;N-Boc-哌啶-4-硫代乙酰胺;N－Boc-4-硫代甲酰胺;

英文别名：

1-tert-Butoxycarbonylpiperidine-4-carbothioamide;tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate;Piperidine-4-thiocarboxamide, N1-BOC protected;tert-butyl 4-carbamothioylpiperidine-1-carboxylate;1-Boc-4-thiocarbamoylpiperidine;N-boc-4-aminothiocarbonylpiperidine;tert-butyl 4-thiocarbamoylpiperidine-1-carboxylate;tert-butyl-4-carbamothioylpiperidine-1-carboxylate;tert-butyl 4-Thiocarbamoyl-piperidine-1-carboxylate;tert-butyl 4-(aminocarbonothioyl)piperidine-1-carboxylate;tert-butyl 4-(aminothioxomethyl)piperidinecarboxylate;PubChem19892;10N-311S;1,1-dimethylethyl 4-(aminocarbonothioyl)-1-piperidinecarboxylate;BCP04448;tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate;1-Boc-4-Thiocarbamoylpiperidine;C11H20N2O2S;1-tert-butoxycarbonyl-4-piperidine thioamide;W-206635;SCHEMBL163922;tert-butyl 4-(aminocarbothioyl)tetrahydropyridine-1-(2H)-carboxylate;1,1-Dimethylethyl 4-(aminocarbonothioyl)piperidine-1-carboxylate;DS-0596;1-Boc-4-aminothiocarbonyl piperidine;EN300-64219;SCGQNJHAAYUQOO-UHFFFAOYSA-N;1-t-butyloxycarbonyl-isonipecot-thioamide;4-THIOCARBAMOYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;CS-W004912;A815410;DTXSID40370855;214834-18-1;MFCD02180954;N-BOC-Piperidine-4-thiocarboxamide;tert-butyl-4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate;1-tert-butoxycarbonylpiperidine-4-thiocarboxamide;tert-butyl4-carbamothioylpiperidine-1-carboxylate;tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate, AldrichCPR;AB11458;FT-0649574;AKOS009157764;4-thiocarbamoylpiperidine-1-carboxylic acid tert-butyl ester;tert-Butyl4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate;DB-004320;ALBB-031232;

标识符

MDL：

MFCD02180954

InChIKey：

SCGQNJHAAYUQOO-UHFFFAOYSA-N

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)

SMILES：

S=C(C1CCN(C(=O)OC(C)(C)C)CC1)N

4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯(214834-18-1)物化性质

实验特性

LogP : 2.55780
PSA : 87.65000
沸点 : 356°C at 760 mmHg
熔点 : 130-131 ºC
闪点 : 169.1°C
颜色与性状 : No data available
密度 : 1.158

计算特性

精确分子量 : 244.12500
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 244.125
重原子数量 : 16
复杂度 : 278
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.1
拓扑分子极性表面积 : 87.6

4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯(214834-18-1)安全信息

安全术语： S22;S26;S36/37/39
安全说明： S22-S26-S36/37/39
风险术语： R22; R36/37/38
危险品标志： Xn
危害声明：H302-H315-H319-H332-H335
警示性声明：P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
储存条件： Sealed in dry,2-8°C
危险类别码： R22;R36/37/38
信号词： Warning

4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯(214834-18-1)海关数据

海关编码：

2933399090

海关数据：

中国海关编码：

2933399090

概述：

2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯(214834-18-1)上下游

4-[4-(乙氧羰基)-1,3-噻唑-2-基]四氢-1(2H)-吡啶羧酸叔丁酯 1-甲基哌啶-4-硫代羧胺

4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯(214834-18-1)参考资料

Beilstein：

N182798

PubChem CID：

2735648

4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯(214834-18-1) MSDS

基础信息

Name:	tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate Material Safety Data Sheet
Synonym:	1-(t-Butyloxycarbonyl)piperidine-4-thiocarboxamid
CAS:	214834-18-1

Section 1 - Chemical Product ? MSDS Name:tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate Material Safety Data Sheet
Synonym:1-(t-Butyloxycarbonyl)piperidine-4-thiocarboxamid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
214834-18-1	tert-Butyl 4-(aminocarbothioyl)tetrahy	95+%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 214834-18-1: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: white
Odor: stench
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 122 - 124 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H20N2O2S
Molecular Weight: 244

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, acids, bases, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 214834-18-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 214834-18-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 214834-18-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 214834-18-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A