1H-Pyrrolizine-7-methanol, 2,3-dihydro-1-hydroxy-

Base Information

• Chemical Name: 1H-Pyrrolizine-7-methanol, 2,3-dihydro-1-hydroxy-
• CAS No.: 26400-45-3
• Deprecated CAS: 31470-63-0
• Molecular Formula: C8H11NO2
• Molecular Weight: 153.18
• Hs Code.: 2933990090
• NSC Number: 144848
• UNII: ZY3OL6W2LY
• Nikkaji Number: J100.081K
• Wikidata: Q27295942
• Mol file: 26400-45-3.mol

Synonyms:6,7-dihydro-7-hydroxy-1-hydroxymethyl-5H-pyrrolizine;dehydro-retronecine;dehydroheliotridine;dehydroretro-necine;dehydroretronecine;dehydroretronecine, (R)-isomer;dehydroretronecine, (S)-isomer

Chemical Property of 1H-Pyrrolizine-7-methanol, 2,3-dihydro-1-hydroxy-

Chemical Property:

• Vapor Pressure: 0.000801mmHg at 25°C
• Refractive Index: 1.599
• Boiling Point: 293.1°C at 760 mmHg
• PKA: 14.70±0.10(Predicted)
• Flash Point: 131.1°C
• PSA: 45.39000
• Density: 1.29g/cm³
• LogP: 0.41750
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.078978594
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2C=CC(=C2C1O)CO

Technology Process of 1H-Pyrrolizine-7-methanol, 2,3-dihydro-1-hydroxy-

There total 7 articles about 1H-Pyrrolizine-7-methanol, 2,3-dihydro-1-hydroxy- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C13H20N2O3 → (+/-)-6,7-dihydro-7-hydroxy-1-(hydroxymethyl)-5H-pyrrolizine (26400-45-3,31470-63-0)

Guidance literature:

With water; In acetonitrile; at 20 ℃;

DOI:10.1021/tx5002139

Reference yield:

C13H20N2O3 → (+/-)-6,7-dihydro-7-hydroxy-1-(hydroxymethyl)-5H-pyrrolizine (26400-45-3,31470-63-0)

Guidance literature:

With water; In acetonitrile; at 20 ℃;

DOI:10.1021/tx5002139

Reference yield:

riddelliine (23246-96-0) → (+/-)-6,7-dihydro-7-hydroxy-1-(hydroxymethyl)-5H-pyrrolizine (26400-45-3,31470-63-0) + riddelliine N-oxide (75056-11-0)

Guidance literature:

With human liver microsomes; NADP; glucose 6-phosphate dehydrogenase; D-glucose 6-phosphate; In phosphate buffer; at 37 ℃; pH=7.6; Further Variations:; Reagents; Enzyme kinetics;

DOI:10.1021/tx025605i

upstream raw materials:

riddelliine

monocrotaline pyrrole

Refernces

• 1、 Xia, Qingsu,Chou, Ming W.,Kadlubar, Fred F.,Chan, Po-Cheun,Fu, Peter P.. "Human liver microsomal metabolism and DNA adduct formation of the tumorigenic pyrrolizidine alkaloid, riddelliine". . p. 66 - 73. Retrieved 2003.