83278-86-8 (2-羟甲基苯并二氢吡喃,3,4-Dihydro-2H-chromen-2-ylmethanol)

快速询单

结构式：

2-羟甲基苯并二氢吡喃MOL文件

CAS号：

83278-86-8

中文名称：

2-羟甲基苯并二氢吡喃

英文名称：

3,4-Dihydro-2H-chromen-2-ylmethanol

分子式：

C₁₀H₁₂O₂

分子量：

164.201083183289

2-羟甲基苯并二氢吡喃(83278-86-8)名称与标识符

名称

中文别名：

2-羟甲基苯并二氢吡喃;3,4-二氢-2H-苯并吡喃-2-甲醇;2-羟甲基二氢苯并吡喃;

英文别名：

(3,4-Dihydro-2H-chromen-2-yl)methanol;3,4-DIHYDRO-2H-CHROMEN-2-YLMETHANOL;chroman-2-ylmethanol;(3,4-Dihydro-2H-chromen-2-yl)methanol,(3,4-Dihydro-2H-1-benzopyran-2-yl)methanol;(chroman-2-yl)methanol;2-chromanemethanol;2-hydroxy-methylchroman;2-HYDROXYMETHYLCHROMANE;2R-(hydroxymethyl)-chroman;3,4-dihydro-2H-1-benzopyran-2-methanol;3,4-dihydro-2H-1-benzopyran-2-ylMethanol;hydroxymethyl-2 chromanne;3,4-Dihydro-2H-1-benzopyran-2-methanol (ACI);(3,4-Dihydro-2H-1-benzopyran-2-yl)methanol;2-(Hydroxymethyl)chroman;Chroman-2-ylmethyl alcohol;(3,4-Dihydro-2H-chromen-2-yl)methanol; (3,4-Dihydro-2H-1-benzopyran-2-yl)methanol;2-hydroxymethylchroman;EN300-3463123;AM804385;2-(Hydroxymethyl)chromane;3,4-dihydro-2H1-benzopyran-2-methanol;AC-4775;chromanylmethanol;PS-3737;FT-0701794;3.4-dihydro-2H-chromen-2-ylmethanol;83278-86-8;SCHEMBL936563;AKOS006345240;MFCD06658990;DTXSID401003253;KDLVSGWUKFJFTL-UHFFFAOYSA-N;2H-1-Benzopyran-2-methanol, 3,4-dihydro-;SY064633;AB89577;CS-0036516;DB-031173;Chroman-2-yl-methanol;XH0469;3,4-dihydro-2h-chroman-2-ylmethanol;

标识符

MDL：

MFCD06658990

InChIKey：

KDLVSGWUKFJFTL-UHFFFAOYSA-N

Inchi：

1S/C10H12O2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9,11H,5-7H2

SMILES：

OCC1CCC2C(=CC=CC=2)O1

2-羟甲基苯并二氢吡喃(83278-86-8)物化性质

实验特性

LogP : 1.37250
PSA : 29.46000
沸点 : 293.2 °C at 760 mmHg
熔点 : NA
蒸气压 : 0.0±0.6 mmHg at 25°C
闪点 : 133.9 °C
颜色与性状 : No data available
密度 : 1.125

计算特性

精确分子量 : 164.08400
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 164.084
重原子数量 : 12
复杂度 : 147
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 : 1
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） : 1.7
拓扑分子极性表面积 : 29.5A^2

2-羟甲基苯并二氢吡喃(83278-86-8)安全信息

2-羟甲基苯并二氢吡喃(83278-86-8)海关数据

海关编码：

2932999099

海关数据：

中国海关编码：

2932999099

概述：

2932999099. 其他仅含氧杂原子的杂环化合物. 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

Summary：

2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-羟甲基苯并二氢吡喃(83278-86-8)推荐厂家更多厂家(21)

公司名称	手机号/电话	联系人	QQ	询单
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金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
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上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单

2-羟甲基苯并二氢吡喃(83278-86-8)合成路线

合成路线：1 步

340023-54-3

_97%

83278-86-8

反应条件：

1.1 Catalysts: Cerium trichloride Solvents: Acetonitrile

参考文献：

A Highly Efficient, Mild, and Selective Cleavage of β-Methoxyethoxymethyl (MEM) Ethers by Cerium(III) Chloride in Acetonitrile

Sabitha, Gowravaram; et al, Organic Letters, 2001, 3(8), 1149-1151

合成路线：1 步

51939-71-0

_97%

83278-86-8

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 2 h, 23 °C
1.2 Reagents: Water ; 2 h, rt

参考文献：

Comparison of Sulfamate and Sulfamide Groups for the Inhibition of Carbonic Anhydrase-II by Using Topiramate as a Structural Platform

Maryanoff, Bruce E.; et al, Journal of Medicinal Chemistry, 2005, 48(6), 1941-1947

合成路线：1 步

24698-77-9

_93%

83278-86-8

反应条件：

1.1 Reagents: Lithium aluminum hydride

参考文献：

Factors controlling the reduction of ester groups with sodium borohydride

Hanaya, Kaoru; et al, Nouveau Journal de Chimie, 1982, 6(3), 149-54

合成路线：1 步

59363-19-8

_67%

83278-86-8

反应条件：

1.1 Reagents: Cesium carbonate Catalysts: Palladium diacetate , 2-(Di-tert-butylphosphino)biphenyl Solvents: Toluene ; 90 °C

参考文献：

A highly efficient enantioselective synthesis of 2-methyl chromans via four sequential palladium-catalyzed reactions

Palucki, Michael; et al, Tetrahedron Letters, 2005, 46(6), 987-990

合成路线：1 步

115822-59-8

83278-86-8

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Diethyl ether

参考文献：

Pharmacomodulation of α-adrenergic blocking agents by a series of benzopyrans

Mouysset, Genevieve; et al, European Journal of Medicinal Chemistry, 1987, 22(6), 539-44

合成路线：2 步

77039-78-2

110-89-4

83278-86-8

反应条件：

1.1 Solvents: Tetrahydrofuran
2.1 Reagents: Lithium aluminum hydride Solvents: Diethyl ether

参考文献：

Pharmacomodulation of α-adrenergic blocking agents by a series of benzopyrans

Mouysset, Genevieve; et al, European Journal of Medicinal Chemistry, 1987, 22(6), 539-44

合成路线：2 步

41978-33-0

83278-86-8

反应条件：

1.1 -
2.1 Reagents: Sodium borohydride

参考文献：

Factors controlling the reduction of ester groups with sodium borohydride

Hanaya, Kaoru; et al, Nouveau Journal de Chimie, 1982, 6(3), 149-54

合成路线：2 步

4940-39-0

83278-86-8

参考文献：

Antiallergic agents: derivatives of 2-hydroxymethylchromone and structural analogs

Payard, Marc; et al, European Journal of Medicinal Chemistry, 1985, 20(2), 117-20

合成路线：3 步

14736-31-3

83278-86-8

反应条件：

1.1 -
2.1 -
3.1 Reagents: Lithium aluminum hydride

参考文献：

Factors controlling the reduction of ester groups with sodium borohydride

Hanaya, Kaoru; et al, Nouveau Journal de Chimie, 1982, 6(3), 149-54

2-羟甲基苯并二氢吡喃(83278-86-8) MSDS

基础信息

Name:	3 4-Dihydro-2H-chromen-2-ylmethanol Material Safety Data Sheet
Synonym:
CAS:	83278-86-8

Section 1 - Chemical Product ? MSDS Name:3 4-Dihydro-2H-chromen-2-ylmethanol Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
83278-86-8	3,4-Dihydro-2H-chromen-2-ylmethanol	97+%	unlisted

Hazard Symbols: XN
Risk Phrases: 21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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# 83278-86-8: 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: Liquid
Color: Colourless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H12O2
Molecular Weight: 164.21

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, halogens, halogenated agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 83278-86-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,4-Dihydro-2H-chromen-2-ylmethanol - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 21/22 Harmful in contact with skin and if
swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 83278-86-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 83278-86-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 83278-86-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A