7-Angelylretronecine

Base Information

Chemical Name:7-Angelylretronecine
CAS No.:6029-82-9
Molecular Formula:C13H19NO3
Molecular Weight:237.2949
Hs Code.:
UNII:9B793GX6WI
DSSTox Substance ID:DTXSID70209043
Nikkaji Number:J806.599C
Wikidata:Q27272305
Mol file:6029-82-9.mol

Synonyms:7-Angelylretronecine;6029-82-9;7-Angeloylretronecine;CCRIS 4337;UNII-9B793GX6WI;9B793GX6WI;[(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate;O-7-ANGELYLRETRONECINE;RETRONECINE, 1-ANGELATE;DTXSID70209043;AKOS040761240;LS-188368;RETRONECINE, 7-(2-METHYLCROTONATE), (Z)-;Q27272305;(+)-(7R,8R)-1-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-3H-PYRROLIZINYL (Z)-2-METHYLBUT-2-ENOATE;7-ANGELOYLRETRONECINE;2-BUTENOIC ACID, 2-METHYL-, (1R,7AR)-2,3,5,7A-TETRAHYDRO-7-(HYDROXYMETHYL)-1H-PYRROLIZIN-1-YL ESTER, (2Z)-;2-BUTENOIC ACID, 2-METHYL-, 2,3,5,7A-TETRAHYDRO-7-(HYDROXYMETHYL)-1H-PYRROLIZIN-1-YL ESTER, (1R-(1.ALPHA.(Z),7A.BETA.))-

Suppliers and Price of 7-Angelylretronecine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Arctom
7-Angeloylretronecine ≥98%
5mg
$ 463.00

Total 7 raw suppliers

Chemical Property of 7-Angelylretronecine

Chemical Property:

Vapor Pressure:4.68E-06mmHg at 25°C
Melting Point:74 °C
Boiling Point:343°Cat760mmHg
PKA:14.63±0.10(Predicted)
Flash Point:161.2°C
PSA：49.77000
Density:1.18g/cm³
LogP:0.80890
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:237.13649347
Heavy Atom Count:17
Complexity:373

Purity/Quality:

99%, ^*data from raw suppliers

7-Angeloylretronecine ≥98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC=C(C)C(=O)OC1CCN2C1C(=CC2)CO
Isomeric SMILES:C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO

Technology Process of 7-Angelylretronecine

There total 5 articles about 7-Angelylretronecine 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: 90.0%

: 377076-03-4
2-methyl-but-2-enoic acid 7-(tert-butyl-dimethyl-silanyloxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester

: 6029-82-9,17690-54-9
7-angeloylretronecine

Guidance literature:: With silicon tetrafluoride; In acetonitrile; for 0.75h;
DOI:10.1021/jo015741c

Reference yield:

: (4aR,7R,8R,9R,11bR)-8,9,11-Trihydroxy-7,8,9-trimethyl-2,3,4,4a,8,9,11,11b-octahydro-7H-5-oxa-2a-aza-cyclodeca[cd]pentalene-6,10-dione

: 6029-82-9,17690-54-9
7-angeloylretronecine

Guidance literature:: Multi-step reaction with 4 steps

1.1: 80 percent / DIBAL / CH₂Cl₂ / 2 h / 0 °C

2.1: 80 percent / imidazole / CH₂Cl₂ / 1 h / 20 °C

3.1: n-BuLi / tetrahydrofuran; hexane / 0.17 h / 0 °C

3.2: 60 percent / tetrahydrofuran; hexane

4.1: 90 percent / SiF₄ / acetonitrile / 0.75 h

With 1H-imidazole; n-butyllithium; silicon tetrafluoride; diisobutylaluminium hydride; In tetrahydrofuran; hexane; dichloromethane; acetonitrile;
DOI:10.1021/jo015741c

Reference yield:

: 35660-94-7,49651-33-4,62529-65-1
(Z)-2-methyl-2-butenoyl chloride

: 6029-82-9,17690-54-9
7-angeloylretronecine

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-BuLi / tetrahydrofuran; hexane / 0.17 h / 0 °C

1.2: 60 percent / tetrahydrofuran; hexane

2.1: 90 percent / SiF₄ / acetonitrile / 0.75 h

With n-butyllithium; silicon tetrafluoride; In tetrahydrofuran; hexane; acetonitrile;
DOI:10.1021/jo015741c