197389-47-2 (N-Bsmoc-L-丙氨酸,Titanium,dichloro[2,2-dimethyl-a,a,a',a'-tetra-1-naphthalenyl-1,3-dioxolane-4,5-dimethanolato(2-)-kO4,kO5]-, [T-4-(4R-trans)]- (9CI))

快速询单

结构式：

N-Bsmoc-L-丙氨酸MOL文件

CAS号：

197389-47-2

中文名称：

N-Bsmoc-L-丙氨酸

英文名称：

Titanium,dichloro[2,2-dimethyl-a,a,a',a'-tetra-1-naphthalenyl-1,3-dioxolane-4,5-dimethanolato(2-)-kO4,kO5]-, [T-4-(4R-trans)]- (9CI)

分子式：

C₄₉H₄₂Cl₂N₂O₃Ti

分子量：

825.642391681671

N-Bsmoc-L-丙氨酸(197389-47-2)名称与标识符

名称

中文别名：

3,4,5-三甲氧基苯甲酰胺;4R,5R)-(-)-2,2-二甲基-ALPHA,ALPHA,ALPHA'',ALPHA''-四苯基-1,3-二氧戊环-4,5-二甲醇并[1,2-双(二甲氧基)乙烷]二氯化钛(IV);4R,5R)-(-)-2,2-二甲基-ALPHA,ALPHA,ALPHA',ALPHA'-四苯基-1,3-二氧戊环-4,5-二甲醇并[1,2-双(二甲氧基)乙烷]二氯化钛(IV);N-Bsmoc-L-丙氨酸;[[(4R,5S)-2,2-二甲基-1,3-二氧杂戊环-4,5-二基]双(二-1-萘基甲醇)]二氯化钛;(4R,5R)-(-)-2,2-二甲基-Α,Α,Α',Α'-四(1-萘基)-1,3-二氧戊环-4,5-二甲醇合二氯化钛(IV) 乙腈络合物;

英文别名：

Titanium,dichloro[2,2-dimethyl-a,a,a',a'-tetra-1-naphthalenyl-1,3-dioxolane-4,5-dimethanolato(2-)-kO4,kO5]-, [T-4-(4R-trans)]- (9CI);(4R,5R)-(-)-2,2-DIMETHYL-ALPHA,ALPHA,ALPHA',ALPHA'-TETRA(1-NAPHTHYL)-1,3-DIOXOLANE-4,5-DIMETHANOLATOTITANIUM (IV) DICHL...;(4R,5R)-(-)-2,2-Dimethyl-α;acetonitrile,dichlorotitanium,[(4R,5R)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-dinaphthalen-1-ylmethanol;Titanium,dichloro[2,2-dimethyl-a,a,a',a'-tetra-1-naphthalenyl-1,3-dioxolane-4,5-dimethanolato(2-)-kO4,kO5]-, [T-4-(4R-trans)];(4R,5R)-(-)-2,2-DIMETHYL-A,A,A',A'-TETRA(1-NAPHTHYL)-1,3-DIOXOLANE-4,5-DIMETHANOLATOTITANIUM(IV) DICHLORIDE ACETONITRILE ADDUCT;(4R,5R)-(-)-2,2-Dimethyl-α,α,α',α'SC10832;-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct;Dichloro[[(4R,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(di-1-naphthylmethanolato)]titanium;'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct;[(4R,5R)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-dinaphthalen-1-ylmethanol;(4R,5R)-(-)-2,2-DiMethyl-α,α,α',α'-tetra(1-naphthyl)-1,3-dioxolane-4,5-diMethanolatotitaniuM(IV) dichloride acetonitrile adduct;(4R,5R)-(-)-2,2-DIMETHYL-ALPHA,ALPHA,ALPHA',ALPHA'-TETRA(1-NAPHTHYL)-1,3-DIOXOLANE-4,5-DIMETHANOLATOTITANIUM (IV) DICHLORIDE ACETONITRILE;(4R,5R)-(-)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV)dichlorideacetonitrileadduct;MFCD05861615;Acetonitrile;dichlorotitanium;[(4R,5R)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-dinaphthalen-1-ylmethanol;197389-47-2;

标识符

MDL：

MFCD05861615

InChIKey：

WINAMCRSRUMNBX-VCYTWFGNSA-L

Inchi：

1S/C47H39NO3.C2H3N.2ClH.Ti/c1-45(2)48-43(46(49,39-27-11-19-31-15-3-7-23-35(31)39)40-28-12-20-32-16-4-8-24-36(32)40)44(51-45)47(50,41-29-13-21-33-17-5-9-25-37(33)41)42-30-14-22-34-18-6-10-26-38(34)42;1-2-3;;;/h3-30,43-44,48-50H,1-2H3;1H3;2*1H;/q;;;;+2/p-2/t43-,44-;;;;/m1..../s1

SMILES：

[Ti](Cl)Cl.O1C(C)(C)N[C@@H](C(C2=CC=CC3C=CC=CC2=3)(C2=CC=CC3C=CC=CC2=3)O)[C@@H]1C(C1=CC=CC2C=CC=CC1=2)(C1=CC=CC2C=CC=CC1=2)O.N#CC

N-Bsmoc-L-丙氨酸(197389-47-2)物化性质

实验特性

LogP : 12.77940
PSA : 63.51000
颜色与性状 : 无可用
溶解性 : 无可用
敏感性 : air sensitive, moisture sensitive

计算特性

精确分子量 : 822.19000
氢键供体数量 : 3
氢键受体数量 : 4
可旋转化学键数量 : 6
同位素质量 : 824.205189g/mol
重原子数量 : 51
复杂度 : 1180
同位素原子数量 : 0
确定原子立构中心数量 : 2
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 : 3
拓扑分子极性表面积 : 85.5Å²

N-Bsmoc-L-丙氨酸(197389-47-2)安全信息

N-Bsmoc-L-丙氨酸(197389-47-2)推荐厂家更多厂家(4)

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N-Bsmoc-L-丙氨酸(197389-47-2) MSDS

基础信息

Section 1: Product Identification
   (4R,5R)-(-)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium
   Chemical Name:
   (IV) dichloride acetonitrile adduct
   CAS Registry Number:       197389-47-2
   Formula:       C47H36Cl2O4Ti
   EINECS Number:       none
   Chemical Family:       organometallic complex
   Synonym:       Titanium naphthylTADDOL

Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 197389-47-2 100% no data no data

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract. With moisture, may liberate fumes of hydrogen chloride.
   Primary Routes of Exposure:       Inhalation, skin, eyes.
   Eye Contact:       Dust and vapors cause moderate irritation of the eyes.
   Skin Contact:       Causes moderate irritation of the skin.
   Inhalation:       Inhalation of dust or fumes causes irritation to the nose, mucous membranes and respiratory tract.
   Ingestion:       No information is available on the physiological effects of ingestion.
   Irritation to skin, eyes, mucous membranes and respiratory tract. Exposure to moisture slowly produces
   Acute Health Affects:
   hydrochloric acid.
   Chronic Health Affects:       No information available on long-term chronic effects.
   NTP:       No
   IARC:       No
   OSHA:       No

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       none
   Autoignition Temperature:       none
   Explosion Limits:       none
   Extinguishing Medium:       carbon dioxide, dry powder or foam
   If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic fumes.
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small spills can be mixed with vermiculite or sodium carbonate and swept up.

SECTION 7: Handling and Storage
   Store material in a tightly sealed bottle, preferably under an inert atmosphere. If possible, handle material in an
   Handling and Storage:
   efficient fume hood. Prolonged exposure to the atmosphere will lead to degradation of the product.

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.
   Skin Protection:       Wear protective gloves.
   Ventilation:       If possible, handle the material in an efficient fume hood.
   No respirator is required when handling this material unless large volumes are handled in a poorly ventilated
   Respirator:
   area.
   Ventilation:       If possible, handle the material in an efficient fume hood.
   Additional Protection:       No additional protection required.

SECTION 9: Physical and Chemical Properties
   Color and Form:       Yellow powder
   Molecular Weight:       783.58(824.63)
   Melting Point:       no data
   Boiling Point:       decomposes
   Vapor Pressure:       no data
   Specific Gravity:       no data
   Odor:       may have an acidic odor.
   Solubility in Water:       reacts with water

SECTION 10: Stability and Reactivity
   Stability:       Moisture-sensitive solid
   Hazardous Polymerization:       none
   Conditions to Avoid:       material may absorb water from the atmosphere on prolonged exposure.
   Incompatibility:       water, alcohols, reactive metals
   Decomposition Products:       Carbon dioxide, carbon monoxide, hydrogen chloride, titanium oxide, and organic vapors.

SECTION 11: Toxicological Information
   RTECS Data:       No specific information available from the RTECS files.
   Carcinogenic Effects:       No data available
   Mutagenic Effects:       No data available
   Tetratogenic Effects:       No data available

SECTION 12: Ecological Information
Ecological Information: No information available

SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

SECTION 14: Transportation
   Shipping Name (CFR):       Non hazardous
   Hazard Class (CFR):       NA
   Additional Hazard Class (CFR):       NA
   Packaging Group (CFR):       NA
   UN ID Number (CFR):       NA
   Shipping Name (IATA):       Non hazardous
   Hazard Class (IATA):       NA
   Additional Hazard Class (IATA):       NA
   Packaging Group (IATA):       NA
   UN ID Number (IATA):       NA

SECTION 15: Regulatory Information
   TSCA:       not listed in the TSCA inventory
   SARA (Title 313):       not reportable under SARA Title 13
   Second Ingredient:       none

SECTION 16 - ADDITIONAL INFORMATION
N/A