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(R)-(+)-1-Boc-3-aminopyrrolidine structure
(R)-(+)-1-Boc-3-aminopyrrolidine structure

(R)-(+)-1-Boc-3-aminopyrrolidine

Iupac Name:tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
CAS No.:147081-49-0
Molecular Weight:186.25
1. Names and Identifiers
1.1 Name
(R)-(+)-1-Boc-3-aminopyrrolidine
1.2 Synonyms

(3R)-(+)-1-(tert-Butoxycarbonyl)-3-aminopyrrolidine (3R)-(+)-1-Boc-3-aminopyrrolidine (3R)-(+)-3-Amino-1-(tert-butoxycarbonyl)pyrrolidine (3R)-(+)-3-Amino-1-Boc-pyrrolidine (3R)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine (3R)-3-Amino-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester (3R)-3-Aminopyrrolidine, N1-BOC protected (3R)-3-Aminopyrrolidine-1-carboxylic Acid T-butyl Ester (R)-(+)-N-BOC-3-AMINOPYRROLIDINE (R)-(+)-N-tert-Butoxycarbonyl-3-aminopyrroli (R)-1-Boc-3-Aminopyrrolidine (R)-3-Amino-1-Boc-pyrroli... (R)-3-AMINO-1-BOC-PYRROLIDINE (R)-3-AMINO-1-N-BOC-PYRROLIDINE (R)-3-amino-N-(t-butoxycarbonyl)-pyrrolidine (R)-3-AMINO-N-BOC-PYRROLIDINE (R)-TERT-BUTYL 3-AMINOPYRROLIDINE-1-CARBOXYLATE 1-Boc-3-(R )-aminopyrrolidine 1-Boc-3-(R)-aminopyrrolidine 1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-, 1,1-DIMETHYLETHYL ESTER, (3R) 1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3R)- 2-Methyl-2-propanyl (3R)-3-amino-1-pyrrolidinecarboxylate 3-AMINO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, (R) MFCD03419272 R-(+)-1-Boc-3-aminopyrrolidine R-1-N-BOC-3-AMINO PYRROLIDINE T5NTJ AVOX1&1&1 CZ &&R Form Tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate tert-butyl (R)-3-amino-pyrrolidine-1-carboxylate tert-Butyl-(3R)-3-aminopyrrolidin-1-carboxylat

1.3 CAS No.
147081-49-0
1.4 CID
854070
1.5 EINECS(EC#)
604-556-0
1.6 Molecular Formula
C9H18N2O2 (isomer)
1.7 Inchi
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
1.8 InChkey
CMIBWIAICVBURI-SSDOTTSWSA-N
1.9 Canonical Smiles
CC(C)(C)OC(=O)N1CCC(C1)N
1.10 Isomers Smiles
CC(C)(C)OC(=O)N1CC[C@H](C1)N
2. Properties
3.1 Density
1.098
3.1 Melting point
243-244°C
3.1 Boiling point
243-244℃
3.1 Refractive index
1.4720
3.1 Flash Point
196?
3.1 Precise Quality
186.13700
3.1 PSA
55.56000
3.1 logP
1.59270
3.1 Appearance
colorless to light yellow liquid
3.2 Chemical Properties
Colorless to light yellow liqui (R)-(+)-1-Boc-3-aminopyrrolidine Preparation Products And Raw materials Raw materials
3.3 Color/Form
Pale-yellow to Yellow-brown Liquid
3.4 pKa
9.55±0.20(Predicted)
3.5 StorageTemp
Keep in dark place,Inert atmosphere,2-8°C
3. Use and Manufacturing
4.1 Storage
Keep Cold. Air Sensitive.
4. Safety and Handling
5.1 Symbol
GHS05, GHS06
5.1 Hazard Codes
C; Xn
5.1 Signal Word
Danger
5.1 Risk Statements
R22
5.1 Safety Statements
26-36/37/39
5.1 Packing Group
5.1 Hazard Class
8
5.1 Hazard Declaration
H301-H318
5.1 RIDADR
UN 2810 6.1/PG 3
5.1 Caution Statement
P280-P301 + P310-P305 + P351 + P338
5.1 WGK Germany
3
5.1 Safety

Hazard Codes:?CorrosiveC,HarmfulXn
Risk Statements: 22-41-44
R22: (R)-(+)-1-Boc-3-aminopyrrolidine (CAS NO.147081-49-0) is harmful if swallowed.?
R41: Risk of serious damage to the eyes.?
R44: Risk of explosion if heated under confinement.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2810 6.1/PG 3

5.2 Sensitive
Air Sensitive
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

8. Other Information
8.0 Uses
(R)-(+)-1-Boc-3-aminopyrrolidine may be used to prepare:
  • Descarboxamide analog and Na-methylated analogs of 4-N-(Nω-nitro-L-argininyl)-trans-4-amino-L-proline amide.
  • Histamine 3 (H3) receptor antagonists containing pyrrolidin-3-yl-N-methylbenzamide moiety.
8.1 Chemical Properties
Colorless to light yellow liqui
9. Computational chemical data
  • Molecular Weight:186.25g/mol
  • Molecular Formula:C9H18N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.4
  • Exact Mass:186.136827821
  • Monoisotopic Mass:186.136827821
  • Complexity:198
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:55.6
  • Heavy Atom Count:13
  • 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
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