(R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol structure

3D Mol Similar

(R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol

Iupac Name：diphenyl-[(2R)-pyrrolidin-2-yl]methanol

CAS No.: 22348-32-9

Molecular Weight：253.345

Modify Date.: 2023-03-06 11:52

Introduction: suzuki reaction (R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanolSupplier View more+

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1. Names and Identifiers

1.1 Name: (R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol
1.2 Synonyms: (+)-2-(Diphenylhydroxymethyl)pyrrolidine (+)-a,a-Diphenyl-2-pyrrolidinemethanol (+)-α,α-Diphenyl-2-pyrrolidinemethanol (2R)-2-[Hydroxy(diphenyl)methyl]pyrrolidinium (2R)-α,α-Diphenyl-2-pyrrolidinemethanol (R)-(+)-2-(Diphenylhydroxymethyl)pyrrolidine (R)-(+)-a,a-Diphenyl-2-pyrrolidinemethanol (R)-(+)-α,α-Diphenyl-2-pyrrolidinemethanol (R)-2-(diphenylhydroxymethylpyrrolidine) (R)-a,a-Diphenyl-2-pyrrolidinemethanol (R)-a,a-Diphenylprolinol (R)-Diphenyl(pyrrolidin-2-yl)methanol (R)-Diphenyl-2-pyrrolidinylmethanol (R)-α,α-Diphenyl-2-pyrrolidinemethanol (R)-α,α-Diphenylprolinol 2-Pyrrolidinemethanol, α,α-diphenyl-, (2R)- 2-Pyrrolidinemethanol, α,α-diphenyl-, (R)- 2-Pyrrolidinemethanol,a,a-diphenyl-, (R)- (8CI) a,a-Diphenyl-D-prolinol Pyrrolidinium, 2-(hydroxydiphenylmethyl)-, (2R)- α,α-Diphenyl-D-prolinol

1.3 CAS No.: 22348-32-9

1.4 CID: 7045371

1.5 EINECS(EC#): 606-992-7

1.6 Molecular Formula: C17H19NO (isomer)

1.7 Inchi: InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m1/s1

1.8 InChkey: OGCGXUGBDJGFFY-MRXNPFEDSA-N

1.9 Canonical Smiles: C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

1.10 Isomers Smiles: C1C[C@@H](NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

2. Properties

2.1 Density: 1.128

2.1 Melting point: 77-81℃

2.1 Boiling point: 411.3°Cat760mmHg

2.1 Refractive index: 58 ° (C=2, MeOH)

2.1 Flash Point: 133.3°C

2.1 Precise Quality: 253.14700

2.1 PSA: 32.26000

2.1 logP: 3.00330

2.1 Appearance: white to faintly yellow crystalline powder

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: white to faintly yellow crystalline powder

2.4 Color/Form: white to off-white

2.5 pKa: 13.15±0.29(Predicted)

2.6 StorageTemp: Keep in dark place,Inert atmosphere,Room temperature

3. Use and Manufacturing

3.1 Produe Method

3.2 Usage: suzuki reaction (R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanolSupplier

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S26;S37/39

4.1 WGK Germany: 3

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : 400 MHz in CDCl3

7. Synthesis Route

22348-32-9Total: 31 Synthesis Route

108-86-1 200 Suppliers

22348-32-9 285 Suppliers

Literatures:
European Journal of Organic Chemistry, , # 6 p. 1082 - 1096
Yield: null

501-53-1 152 Suppliers

22348-32-9 285 Suppliers

Literatures:
Journal of Organic Chemistry, , vol. 53, # 12 p. 2861 - 2863
Yield: null

955-40-8 2 Suppliers

22348-32-9 285 Suppliers

Literatures:
Bulletin des Societes Chimiques Belges, , vol. 97, # 8-9 p. 691 - 704
Yield: null

View all

8. Precursor and Product

precursor:

501-53-1

131180-40-0

152326-82-4

113304-84-0

1148-11-4

955-40-8

352535-68-3

149-87-1

21901-76-8

403477-61-2

77581-28-3

137496-68-5

59936-29-7

147-85-3

160424-29-3

63401-04-7

15761-39-4

4931-66-2

5817-26-5

113557-12-3

5700-74-3

108-86-1

1376191-77-3

118970-95-9

View all

product :

110529-22-1

352535-00-3

848821-58-9

112022-81-8

352535-68-3

463941-07-3

118970-95-9

67-56-1

274674-23-6

9. Computational chemical data

Molecular Weight: 253.345g/mol
Molecular Formula: C₁₇H₁₉NO
Compound Is Canonicalized: True
XLogP3-AA: 2.7
Exact Mass: 253.146664230
Monoisotopic Mass: 253.146664230
Complexity: 261
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 32.3
Heavy Atom Count: 19
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB6IAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgAQCAAADGzBmAQwAILAAgCAAiBCAAACAAAgAAAIiIAICIgKJiKAkRGEcAAk0AGYmAeQ0OAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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